N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-2-nitrobenzene-1-sulfonamide
Chemical Structure Depiction of
N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-2-nitrobenzene-1-sulfonamide
N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-2-nitrobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | 4100-2637 |
| Compound Name: | N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-2-nitrobenzene-1-sulfonamide |
| Molecular Weight: | 413.45 |
| Molecular Formula: | C14 H11 N3 O6 S3 |
| Smiles: | CS(c1ccc2c(c1)sc(NS(c1ccccc1[N+]([O-])=O)(=O)=O)n2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8107 |
| logD: | 0.918 |
| logSw: | -2.6458 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 113.479 |
| InChI Key: | PNPOBRMXGJWRLW-UHFFFAOYSA-N |