N-[2-(ethanesulfonyl)-1,3-benzothiazol-6-yl]-3-methylbenzene-1-sulfonamide
Chemical Structure Depiction of
N-[2-(ethanesulfonyl)-1,3-benzothiazol-6-yl]-3-methylbenzene-1-sulfonamide
N-[2-(ethanesulfonyl)-1,3-benzothiazol-6-yl]-3-methylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | M071-0109 |
| Compound Name: | N-[2-(ethanesulfonyl)-1,3-benzothiazol-6-yl]-3-methylbenzene-1-sulfonamide |
| Molecular Weight: | 396.5 |
| Molecular Formula: | C16 H16 N2 O4 S3 |
| Smiles: | CCS(c1nc2ccc(cc2s1)NS(c1cccc(C)c1)(=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5391 |
| logD: | 3.2094 |
| logSw: | -3.7041 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.42 |
| InChI Key: | KFZHWOOUAUZTPE-UHFFFAOYSA-N |