5-bromo-N-[2-(ethanesulfonyl)-1,3-benzothiazol-6-yl]thiophene-2-sulfonamide
Chemical Structure Depiction of
5-bromo-N-[2-(ethanesulfonyl)-1,3-benzothiazol-6-yl]thiophene-2-sulfonamide
5-bromo-N-[2-(ethanesulfonyl)-1,3-benzothiazol-6-yl]thiophene-2-sulfonamide
Compound characteristics
| Compound ID: | M071-0079 |
| Compound Name: | 5-bromo-N-[2-(ethanesulfonyl)-1,3-benzothiazol-6-yl]thiophene-2-sulfonamide |
| Molecular Weight: | 467.4 |
| Molecular Formula: | C13 H11 Br N2 O4 S4 |
| Smiles: | CCS(c1nc2ccc(cc2s1)NS(c1ccc(s1)[Br])(=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8958 |
| logD: | 3.7856 |
| logSw: | -3.9826 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.438 |
| InChI Key: | JFUQQCSXWVTLKD-UHFFFAOYSA-N |