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Molecule
Sulfamethazine
CAS: 57-68-1 · C12H14N4O2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 57-68-1
- Molecular Formula
- C12H14N4O2S
- Molecular Mass
- 278.34 g/mol
Identifiers
CAS Registry Number
57-68-1
SMILES
Cc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1
InChI Key
ASWVTGNCAZCNNR-UHFFFAOYSA-N
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)
Names and Synonyms
- Sulfamethazine Synonym
- Benzenesulfonamide, 4-amino-N-(4,6-dimethyl-2-pyrimidinyl)- Synonym
- Sulfanilamide, N1-(4,6-dimethyl-2-pyrimidinyl)- Synonym
- 4-Amino-N-(4,6-dimethyl-2-pyrimidinyl)benzenesulfonamide Synonym
- Azolmetazin Synonym
- Cremomethazine Synonym
- Diazil Synonym
- N1-(4,6-Dimethyl-2-pyrimidinyl)sulfanilamide Synonym
- N1-(4,6-Dimethyl-2-pyrimidyl)sulfanilamide Synonym
- 4,6-Dimethyl-2-sulfanilamidopyrimidine Synonym
- Dimezathine Synonym
- Mermeth Synonym
- Neazina Synonym
- Pirmazin Synonym
- Sulfadimerazine Synonym
- Sulfadimesine Synonym
- Sulfadimethyldiazine Synonym
- Sulfadimethylpyrimidine Synonym
- Sulfadimezine Synonym
- Sulfadimidine Synonym
- Sulfadine Synonym
- Sulfamethazine Synonym
- Sulfamethiazine Synonym
- 2-Sulfanilamido-4,6-dimethylpyrimidine Synonym
- Sulfodimesin Synonym
- Sulphadimethylpyrimidine Synonym
- Sulphadimidine Synonym
- Vertolan Synonym
- Sulfodimezine Synonym
- Superseptil Synonym
- Spanbolet Synonym
- Superseptyl Synonym
- Sulfadimesin Synonym
- A 502 Synonym
- Sulphamethasine Synonym
- 2-(p-Aminobenzenesulfonamido)-4,6-dimethylpyrimidine Synonym
- N-(4,6-Dimethyl-2-pyrimidyl)sulfanilamide Synonym
- Sulphamethazine Synonym
- Sulfadimezin Synonym
- Sulphodimezine Synonym
- Sulfadimidin Synonym
- Kelametazine Synonym
- Diazyl Synonym
- Sulphamezathine Synonym
- Sulphamidine Synonym
- Neasina Synonym
- 2-(4-Aminobenzenesulfonamido)-4,6-dimethylpyrimidine Synonym
- BN 2409 Synonym
- Calfspan Synonym
- S-Dimidine Synonym
- SulfaSURE SR Bolus Synonym
- Sulka K Boluses Synonym
- Dimidin R Synonym
- DiazilSulfadine Synonym
- Calfspan Tablets Synonym
- NSC 67457 Synonym
- NSC 683529 Synonym
- Sustain III Synonym
- Panazin Synonym
- 2-(4-Aminobenzenesulfonylamino)-4,6-dimethylpyrimidine Synonym
- 4-Amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide Synonym
- SMZ Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 278.34 g/mol | CAS Common Chemistry |
| 278.337 g/mol | RDKit | |
| 278.33 g/mol | chempirical lib | |
| Density | 1.47 g/cm³ | CAS Common Chemistry |
| 1.4655 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | O=S(=O)(NC=1N=C(C=C(N1)C)C)C2=CC=C(N)C=C2 | CAS Common Chemistry |
| 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) | CAS Common Chemistry |
| InChI Key | InChIKey=ASWVTGNCAZCNNR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 198.5 °C | CAS Common Chemistry |
| Name | Sulfamethazine | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 97.97 Ų | RDKit |
| LogP | 1.4764399999999998 | RDKit |
| 1.4764 | RDKit | |
| Molar Refractivity | 73.16890000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1667 | RDKit |
| 0.17 | chempirical lib | |
| Exact Mass | 278.083746688 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
120
100
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60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 278.34 g/mol; density = 1.470 g/mL. Edit any field — others recompute live.
