08D
Summary
| Name: | Sulfamethoxazole |
| Synonyms: | 4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide SMX; SMZ |
| Formula: | C10 H11 N3 O3 S |
| Formal charge: | 0 |
| Formula weight: | 253.278 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide |
| OpenEye OEToolkits | 1.7.6 | 4-azanyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(Nc1noc(c1)C)c2ccc(N)cc2 |
| InChI | InChI | 1.03 | InChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13) |
| InChIKey | InChI | 1.03 | JLKIGFTWXXRPMT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Cc1onc(N[S](=O)(=O)c2ccc(N)cc2)c1 |
| SMILES | CACTVS | 3.370 | Cc1onc(N[S](=O)(=O)c2ccc(N)cc2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1cc(no1)NS(=O)(=O)c2ccc(cc2)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cc(no1)NS(=O)(=O)c2ccc(cc2)N |
