N-[2-(ethanesulfonyl)-1,3-benzothiazol-6-yl]-1-(4-methylphenyl)methanesulfonamide
Chemical Structure Depiction of
N-[2-(ethanesulfonyl)-1,3-benzothiazol-6-yl]-1-(4-methylphenyl)methanesulfonamide
N-[2-(ethanesulfonyl)-1,3-benzothiazol-6-yl]-1-(4-methylphenyl)methanesulfonamide
Compound characteristics
| Compound ID: | M071-0132 |
| Compound Name: | N-[2-(ethanesulfonyl)-1,3-benzothiazol-6-yl]-1-(4-methylphenyl)methanesulfonamide |
| Molecular Weight: | 410.53 |
| Molecular Formula: | C17 H18 N2 O4 S3 |
| Smiles: | CCS(c1nc2ccc(cc2s1)NS(Cc1ccc(C)cc1)(=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5337 |
| logD: | 3.1448 |
| logSw: | -3.6797 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.047 |
| InChI Key: | PHKOZCXFEWFYLQ-UHFFFAOYSA-N |