Structure & Deep Data of Sulfamethazine (C12H14N4O2S)
Identification of Sulfamethazine Chemical Compound
Chemical Formula | C12H14N4O2S |
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Molecular Weight | 278.33016 g/mol |
IUPAC Name | 4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzene-1-sulfonamide |
SMILES String | Cc2cc(C)nc(NS(=O)(=O)c1ccc(N)cc1)n2 |
InChI | InChI=1S/C12H14N4O2S/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16) |
InChIKey | ASWVTGNCAZCNNR-UHFFFAOYSA-N |
Chemical Structure Description
A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The sulfamethazine molecule contains a total of 34 bond(s). There are 20 non-H bond(s), 14 multiple bond(s), 3 rotatable bond(s), 2 double bond(s), 12 aromatic bond(s), 2 six-membered ring(s), 1 primary amine(s) (aromatic), 1 sulfonamide(s) (thio-/dithio-), and 1 Pyrimidine(s). Images of the chemical structure of sulfamethazine are given below:
The 2D chemical structure image of sulfamethazine is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of sulfamethazine are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.
The 3D chemical structure image of sulfamethazine is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of sulfamethazine. Download structure data file (SDF/MOL) file of this compound.
chemical table area
Interactive 3D Visualization
For a better understanding of the chemical structure, an interactive 3D visualization of sulfamethazine is provided here.
The sulfamethazine molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. Mouse wheel zoom is available as well – the size of the sulfamethazine molecule can be increased or decreased by scrolling the mouse wheel.
The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of sulfamethazine can easily be identified by this visualization. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to an image file.
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Additional Information for Identifying Sulfamethazine Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of sulfamethazine
The SMILES string of sulfamethazine is Cc2cc(C)nc(NS(=O)(=O)c1ccc(N)cc1)n2, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the sulfamethazine.
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Structure Data File (SDF/MOL File) of sulfamethazine
The structure data file (SDF/MOL File) of sulfamethazine is available for download in the SDF page of sulfamethazine, which provides the information about the atoms, bonds, connectivity and coordinates of sulfamethazine. The sulfamethazine structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of sulfamethazine
The molecular formula of sulfamethazine is available in chemical formula page of sulfamethazine, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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Molecular weight of sulfamethazine
The molecular weight of sulfamethazine is available in molecular weight page of sulfamethazine, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.
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Other names (synonyms) or registry numbers of sulfamethazine
The sulfamethazine compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of sulfamethazine including the various registry numbers, if available:
- T0504-1341
- EN300-16843
- Sulfadimidine for peak identification, European Pharmacopoeia (EP) Reference Standard
- Sulfamethazine solution; N(1)-(4,6-Dimethyl-2-pyrimidinyl)sulfanilamide
- Sulfamethazine, United States Pharmacopeia (USP) Reference Standard
- 4-amino-N~1~-(4,6-dimethyl-2-pyrimidinyl)-1-benzenesulfonamide
- Sulfadimidine, European Pharmacopoeia (EP) Reference Standard
- N(1)-(4,6-Dimethyl-2-pyrimidinyl)sulfanilamide sulfadimidine
- F1443-4796
- 2-(4-Aminobenzenesulfonylamino)-4,6-dimethylpyrimidine
- W-105450
- SR-01000000211-3
- Sulfamethazine, VETRANAL(TM), analytical standard
- Sulfamethazine, Vetec(TM) reagent grade, >=99%
- N(1)-(4.6-Dimethyl-2-pyrimidinyl)sulfanilamide
- N1-(4,6-Dimethyl-2-pyrimidinyl)sulfanilamide
- Benzenesulfonamide,6-dimethyl-4-pyrimidinyl)-
- T7747
- N1-(4,6-Dimethyl-2-pyrimidyl)sulfanilamide
- SULFAMETHAZINE (TRISULFAPYRIMIDINES)
- SBI-0051522.P003
- Sulfanilamide,6-dimethyl-4-pyrimidinyl)-
- H462
- Sulfadimidine solution, 1 mg/mL in H2O
- CCG-39259
- HY-B0035
- Pharmakon1600-01500548
- HMS3652K03
- D013418
- Cambridge id 5251384
- Epitope ID:122238
- Sulfamethazine, >=99%
- Sentry aq mardel biospheres maracyn plus
- Sulfamethazine solution
- Sulfadimidine solution
- Dimidim-R
- S-Dimidine
- Sulka k boluses
- Panazin
- Calfspan
- Diazilsulfadine
- sulfamethazone
- SMZ
- CAS-57-68-1
- 4-Amino-N- [4,6-dimethyl-2-pyrimidinyl]- benzenesulfonamide
- Sulfamidine
- 4-Amino-N-(4,6-dimethyl-2-pyrimidyl)benzenesulfonamide
- BRD-K11640013-236-03-6
- BRD-K11640013-001-02-6
- D02436
- S0586
- 4-Amino-N-(4,6-dimethyl-pyrimidin-2-yl)-benzenesulfonamide
- [(4-Aminophenyl)sulfonyl](4,6-dimethylpyrimidin-2-yl)amine
- Sulfanilamide, N(sup 1)-(4,6-dimethyl-2-pyrimidinyl)-
- 48U51W007F
- MFCD00006066
- N(Sup1)-(4,6-Dimethyl-2-pyrimidinyl)sulfanilamide
- N(Sup1)-(4,6-Dimethyl-2-pyrimidyl)sulfanilamide
- n(sup1)-(2,6-Dimethylpyrimid-4-yl)sulfanilamide
- HMS2092I19
- HMS1921A17
- 6-(4'-Aminobenzol-sulfonamido)-2,4-dimethylpyrimidin [German]
- (p-Aminobenzolsulfonyl)-2-amino-4,6-dimethylpyrimidin [German]
- HMS500O15
- ARONIS018080
- Sulfanilamide, N(sup1)-(2,6-dimethyl-4-pyrimidinyl)-
- SPECTRUM1500548
- Bio-0716
- Sulfanilamide, N(1)-(4,6-dimethyl-2-pyrimidinyl)-
- N(sup 1)-(4,6-Dimethyl-2-pyrimidinyl)sulfanilamide
- BIDD:PXR0093
- 2-(4-Aminobenzenesulfonamido)-4,6-dimethylpyrimidine
- N(sup 1)-(4,6-Dimethyl-2-pyrimidyl)sulfanilamide
- Sulfanilamide, N1-(4,6-dimethyl-2-pyrimidinyl)-
- Sulfanilamide, N(sup1)-(4,6-dimethyl-2-pyrimidinyl)-
- Sulfamethazine [USP]
- Sulfamethazine (USP)
- Sulfadimidine (INN)
- Sulfamezathine (TN)
- BN 2409
- Sulmet
- Sulfamethazine-d4
- (p-Aminobenzolsulfonyl)-2-amino-4,6-dimethylpyrimidin
- Sulfadimidine [INN:BAN]
- N(1)-(4,6-Dimethyl-2-pyrimidinyl)sulfanilamide
- N(1)-(4,6-Dimethyl-2-pyrimidyl)sulfanilamide
- 6-(4'-Aminobenzol-sulfonamido)-2,4-dimethylpyrimidin
- Benzenesulfonamide, 4-amino-N-(4,6-dimethyl-2-pyrimidinyl)-
- 4-Amino-N-(4,6-dimethyl-2-pyrimidinyl)benzenesulfonamide
- 4-Amino-N-(2,6-dimethyl-4-pyrimidinyl)benzenesulfonamide
- Sulfadimidina [INN-Spanish]
- Sulfadimidinum [INN-Latin]
- 2-(p-Aminobenzenesulfonamido)-4,6-dimethylpyrimidine
- A-502
- 4,6-Dimethylsulfadiazine
- Sulfametazina [Italian]
- Sulfametazyny [Polish]
- Solfadimidina [DCIT]
- N-(4,6-Dimethyl-2-pyrimidyl)sulfanilamide
- Primazin
- Diazil (the sulfanilamide)
- 2-Sulfanilamido-4,6-dimethylpyrimidine
- Sulka S Boluses
- SulfaSURE SR Bolus
- Solfadimidina
- 4,6-Dimethyl-2-sulfanilamidopyrimidine
- Sa III
- Calfspan Tablets
- Metazin
- Sulfadimezinum
- Hava-Span
- Dimidin-R
- 4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
- Sulfa-Isodimerazine
- Neazina
- Neasina
- Mermeth
- Diazil
- Vertolan
- Superseptyl
- Superseptil
- Sulfodimesin
- Spanbolet
- Pirmazin
- Kelametazine
- Intradine
- Dimezathine
- Azolmetazin
- Sulfodimezine
- Sulfametazina
- Sulfadimidinum
- Sulfadimidina
- Cremomethazine
- Sulphadimethylpyrimidine
- Sulfadimethylpyrimidine
- Sulfadine
- Sulphodimezine
- Sulphamidine
- Sulphamethasine
- Sulfamethiazine
- Sulfametazyny
- Sulfadimidin
- Sulfadimezin
- Sulfadimesine
- Sulfadimesin
- Sulphadimidine
- Sulfadimezine
- Sulphamezathine
- Sulphamethazine
- Sulfadimerazine
- Sulfamezathine
- Sulfadimethyldiazine
- 57-68-1
- Sulfadimidine
- sulfamethazine
Sulfamethazine Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of sulfamethazine? |
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C12H14N4O2S |
How many atoms and what are the elements included the sulfamethazine molecule? |
33 atom(s) - 14 Hydrogen atom(s), 12 Carbon atom(s), 4 Nitrogen atom(s), 2 Oxygen atom(s), and 1 Sulfur atom(s) |
How many chemical bonds and what kind of bonds are included the sulfamethazine structure? |
34 bond(s) - 20 non-H bond(s), 14 multiple bond(s), 3 rotatable bond(s), 2 double bond(s), 12 aromatic bond(s), 2 six-membered ring(s), 1 primary amine(s) (aromatic), 1 sulfonamide(s) (thio-/dithio-), and 1 Pyrimidine(s) |
What’s the sulfamethazine’s molecular weight? |
278.33016 g/mol |
What’s the SMILES code of sulfamethazine? |
Cc2cc(C)nc(NS(=O)(=O)c1ccc(N)cc1)n2 |
What’s the InChI string of sulfamethazine? |
InChI=1S/C12H14N4O2S/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16) |
What’s the InChIKey code of sulfamethazine? |
ASWVTGNCAZCNNR-UHFFFAOYSA-N |
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Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN
technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).