2-chloro-N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-5-nitrobenzamide
Chemical Structure Depiction of
2-chloro-N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-5-nitrobenzamide
2-chloro-N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-5-nitrobenzamide
Compound characteristics
| Compound ID: | Y032-1520 |
| Compound Name: | 2-chloro-N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-5-nitrobenzamide |
| Molecular Weight: | 411.84 |
| Molecular Formula: | C15 H10 Cl N3 O5 S2 |
| Smiles: | CS(c1ccc2c(c1)sc(NC(c1cc(ccc1[Cl])[N+]([O-])=O)=O)n2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0478 |
| logD: | 2.6574 |
| logSw: | -3.8116 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.221 |
| InChI Key: | VDIYKMJPKBSCLJ-UHFFFAOYSA-N |