N-[2-(ethanesulfonyl)-1,3-benzothiazol-6-yl]-2,4,5-trimethylbenzene-1-sulfonamide
Chemical Structure Depiction of
N-[2-(ethanesulfonyl)-1,3-benzothiazol-6-yl]-2,4,5-trimethylbenzene-1-sulfonamide
N-[2-(ethanesulfonyl)-1,3-benzothiazol-6-yl]-2,4,5-trimethylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | M071-0108 |
| Compound Name: | N-[2-(ethanesulfonyl)-1,3-benzothiazol-6-yl]-2,4,5-trimethylbenzene-1-sulfonamide |
| Molecular Weight: | 424.56 |
| Molecular Formula: | C18 H20 N2 O4 S3 |
| Smiles: | CCS(c1nc2ccc(cc2s1)NS(c1cc(C)c(C)cc1C)(=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5486 |
| logD: | 3.7206 |
| logSw: | -4.3851 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.42 |
| InChI Key: | IWUUMYZDFUPPSH-UHFFFAOYSA-N |