N-{2-[(1,3-benzothiazol-2-yl)sulfanyl]ethyl}-2-nitrobenzene-1-sulfonamide
Chemical Structure Depiction of
N-{2-[(1,3-benzothiazol-2-yl)sulfanyl]ethyl}-2-nitrobenzene-1-sulfonamide
N-{2-[(1,3-benzothiazol-2-yl)sulfanyl]ethyl}-2-nitrobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | 8008-9776 |
| Compound Name: | N-{2-[(1,3-benzothiazol-2-yl)sulfanyl]ethyl}-2-nitrobenzene-1-sulfonamide |
| Molecular Weight: | 395.48 |
| Molecular Formula: | C15 H13 N3 O4 S3 |
| Smiles: | C(CSc1nc2ccccc2s1)NS(c1ccccc1[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6093 |
| logD: | 3.6089 |
| logSw: | -3.8595 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84 |
| InChI Key: | NJNPGQRTWHCLJW-UHFFFAOYSA-N |