SDF/Mol File 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 |
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of sulfamethazine is available for download. Click the link below to start downloading.
Download structure data file (SDF/MOL File)
The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of sulfamethazine molecule. It starts with a header block, followed by "connection table’, which describes the structural relationships and properties of the atoms.
The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.
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- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Sulfamethazine Molecule
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Chemical structure of sulfamethazine
By visualizing the structure data file (SDF/MOL File) above, 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 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 masses of each constituent element multiplied by the number of atoms of that element.
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Chemical formula of sulfamethazine
The chemical formula of sulfamethazine is given 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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InChI (IUPAC International Chemical Identifier) information of sulfamethazine
An alternative way of expressing structural information in text format 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 be named differently depending on the various situations of industrial applications. Other names (synonyms) of sulfamethazine including the registry numbers are listed 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 sulfamethazine formula? |
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C12H14N4O2S |
How many atoms and what elements are included in 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 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 sulfamethazine’s molar mass? |
278.33016 g/mol |
What’s the SMILES structure of sulfamethazine? |
Cc2cc(C)nc(NS(=O)(=O)c1ccc(N)cc1)n2 |
What’s the InChI code 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 format 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).