2-methyl-N-[2-(propane-1-sulfonyl)-1,3-benzothiazol-6-yl]benzene-1-sulfonamide
Chemical Structure Depiction of
2-methyl-N-[2-(propane-1-sulfonyl)-1,3-benzothiazol-6-yl]benzene-1-sulfonamide
2-methyl-N-[2-(propane-1-sulfonyl)-1,3-benzothiazol-6-yl]benzene-1-sulfonamide
Compound characteristics
| Compound ID: | M071-0449 |
| Compound Name: | 2-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(c1ccccc1C)(=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8284 |
| logD: | 3.0004 |
| logSw: | -3.862 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.42 |
| InChI Key: | LXUIOSRRHGWUBT-UHFFFAOYSA-N |