3-cyano-N-[2-(ethanesulfonyl)-1,3-benzothiazol-6-yl]benzene-1-sulfonamide
Chemical Structure Depiction of
3-cyano-N-[2-(ethanesulfonyl)-1,3-benzothiazol-6-yl]benzene-1-sulfonamide
3-cyano-N-[2-(ethanesulfonyl)-1,3-benzothiazol-6-yl]benzene-1-sulfonamide
Compound characteristics
| Compound ID: | M071-0147 |
| Compound Name: | 3-cyano-N-[2-(ethanesulfonyl)-1,3-benzothiazol-6-yl]benzene-1-sulfonamide |
| Molecular Weight: | 407.49 |
| Molecular Formula: | C16 H13 N3 O4 S3 |
| Smiles: | CCS(c1nc2ccc(cc2s1)NS(c1cccc(C#N)c1)(=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7552 |
| logD: | 2.4255 |
| logSw: | -3.3757 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.476 |
| InChI Key: | OKQJUQMTVNYUDT-UHFFFAOYSA-N |