6-(4-nitrobenzene-1-sulfonyl)-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione
Chemical Structure Depiction of
6-(4-nitrobenzene-1-sulfonyl)-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione
6-(4-nitrobenzene-1-sulfonyl)-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione
Compound characteristics
| Compound ID: | 8011-5078 |
| Compound Name: | 6-(4-nitrobenzene-1-sulfonyl)-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione |
| Molecular Weight: | 368.34 |
| Molecular Formula: | C13 H8 N2 O7 S2 |
| Smiles: | c1cc(ccc1[N+]([O-])=O)S(c1ccc2C(NS(c2c1)(=O)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7829 |
| logD: | -3.8099 |
| logSw: | -2.7089 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 117.61 |
| InChI Key: | NUJRRNHTVWYBOO-UHFFFAOYSA-N |