N-[4-(cyanomethyl)phenyl]-3-methyl-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonamide
Chemical Structure Depiction of
N-[4-(cyanomethyl)phenyl]-3-methyl-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonamide
N-[4-(cyanomethyl)phenyl]-3-methyl-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonamide
Compound characteristics
| Compound ID: | 8016-1351 |
| Compound Name: | N-[4-(cyanomethyl)phenyl]-3-methyl-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonamide |
| Molecular Weight: | 359.42 |
| Molecular Formula: | C16 H13 N3 O3 S2 |
| Smiles: | CN1C(=O)Sc2cc(ccc12)S(Nc1ccc(CC#N)cc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6898 |
| logD: | 2.6868 |
| logSw: | -3.2553 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.99 |
| InChI Key: | MMTGOWDXTWGUTJ-UHFFFAOYSA-N |