3-methyl-N-[2-(propane-1-sulfonyl)-1,3-benzothiazol-6-yl]benzene-1-sulfonamide
Chemical Structure Depiction of
3-methyl-N-[2-(propane-1-sulfonyl)-1,3-benzothiazol-6-yl]benzene-1-sulfonamide
3-methyl-N-[2-(propane-1-sulfonyl)-1,3-benzothiazol-6-yl]benzene-1-sulfonamide
Compound characteristics
| Compound ID: | M071-0490 |
| Compound Name: | 3-methyl-N-[2-(propane-1-sulfonyl)-1,3-benzothiazol-6-yl]benzene-1-sulfonamide |
| Molecular Weight: | 410.53 |
| Molecular Formula: | C17 H18 N2 O4 S3 |
| Smiles: | CCCS(c1nc2ccc(cc2s1)NS(c1cccc(C)c1)(=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9939 |
| logD: | 3.6642 |
| logSw: | -3.9672 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.42 |
| InChI Key: | HHQQVGHSZHMPSQ-UHFFFAOYSA-N |