N-(1,3-benzothiazol-2-yl)-4-methyl-3-nitrobenzene-1-sulfonamide
Chemical Structure Depiction of
N-(1,3-benzothiazol-2-yl)-4-methyl-3-nitrobenzene-1-sulfonamide
N-(1,3-benzothiazol-2-yl)-4-methyl-3-nitrobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | Y031-7784 |
| Compound Name: | N-(1,3-benzothiazol-2-yl)-4-methyl-3-nitrobenzene-1-sulfonamide |
| Molecular Weight: | 349.38 |
| Molecular Formula: | C14 H11 N3 O4 S2 |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)S(Nc1nc2ccccc2s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0711 |
| logD: | 2.8156 |
| logSw: | -4.1569 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.73 |
| InChI Key: | JHXWYXFFBRBOTN-UHFFFAOYSA-N |