Formula of Sulfamethazine (C12H14N4O2S)
Identification of Sulfamethazine Chemical Compound
Chemical Formula | C12H14N4O2S |
---|---|
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 Formula Description
The sulfamethazine molecule contains a total of 33 atom(s). There are 14 Hydrogen atom(s), 12 Carbon atom(s), 4 Nitrogen atom(s), 2 Oxygen atom(s), and 1 Sulfur atom(s). A chemical formula of sulfamethazine can therefore be written as:
C12H14N4O2S
The chemical formula of sulfamethazine shown above is based on the molecular formula indicating the numbers of each type of atom in a molecule without structural information, which is different from the empirical formula which provides the numerical proportions of atoms of each type.
The above chemical formula is the basis of stoichiometry in chemical equations, i.e., the calculation of relative quantities of reactants and products in chemical reactions. The law of conservation of mass dictates that the quantity of each element given in the chemical formula does not change in a chemical reaction. Thus, each side of the chemical equation must represent the same quantity of any particular element based on the chemical formula.
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- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Sulfamethazine Molecule
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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 providing the information about the atoms, bonds, connectivity and coordinates of sulfamethazine, which is not completely available in the chemical formula representation. The sulfamethazine structure data file can be imported to most of the cheminformatics software for further analysis and visualization.
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Chemical structure of sulfamethazine
The chemical structure image of sulfamethazine is available in chemical structure page of sulfamethazine, which specifies the molecular geometry, i.e., the spatial arrangement of atoms in the chemical formula of sulfamethazine and the chemical bonds that hold the atoms together.
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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 specified in the chemical formula of sulfamethazine.
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InChI (IUPAC International Chemical Identifier) information of sulfamethazine
The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of sulfamethazine is:
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)
It can provide a standard way to encode the molecular information of sulfamethazine to facilitate the search for the compound information in databases and on the web.
The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of sulfamethazine is:
InChIKey=ASWVTGNCAZCNNR-UHFFFAOYSA-N
The InChIKey may allow easier web searches for sulfamethazine, but it needs to be linked to the full InChI to get back to the original structure of the sulfamethazine since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of sulfamethazine
The sulfamethazine compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of sulfamethazine including the registry numbers is given below, 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 they in the sulfamethazine structure? |
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 are they in 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 molecular weight of sulfamethazine? |
278.33016 g/mol |
What’s the SMILES string of sulfamethazine? |
Cc2cc(C)nc(NS(=O)(=O)c1ccc(N)cc1)n2 |
What’s the InChI 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 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).