2-nitro-N-(6-nitro-1,3-benzothiazol-2-yl)benzene-1-sulfonamide
Chemical Structure Depiction of
2-nitro-N-(6-nitro-1,3-benzothiazol-2-yl)benzene-1-sulfonamide
2-nitro-N-(6-nitro-1,3-benzothiazol-2-yl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | Y032-0572 |
| Compound Name: | 2-nitro-N-(6-nitro-1,3-benzothiazol-2-yl)benzene-1-sulfonamide |
| Molecular Weight: | 380.35 |
| Molecular Formula: | C13 H8 N4 O6 S2 |
| Smiles: | c1ccc(c(c1)[N+]([O-])=O)S(Nc1nc2ccc(cc2s1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0181 |
| logD: | 2.3996 |
| logSw: | -3.6127 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 117.112 |
| InChI Key: | DQPBANYTIXYFOI-UHFFFAOYSA-N |