N-[4-(cyanomethyl)phenyl]-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonamide
Chemical Structure Depiction of
N-[4-(cyanomethyl)phenyl]-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonamide
N-[4-(cyanomethyl)phenyl]-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonamide
Compound characteristics
| Compound ID: | 8016-0927 |
| Compound Name: | N-[4-(cyanomethyl)phenyl]-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonamide |
| Molecular Weight: | 345.4 |
| Molecular Formula: | C15 H11 N3 O3 S2 |
| Smiles: | C(C#N)c1ccc(cc1)NS(c1ccc2c(c1)SC(N2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4332 |
| logD: | 2.4254 |
| logSw: | -2.9927 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.528 |
| InChI Key: | OPPGPVOGOLBNRR-UHFFFAOYSA-N |