3-{2-chloro-5-[(3-nitrophenyl)sulfamoyl]benzamido}benzoic acid
Chemical Structure Depiction of
3-{2-chloro-5-[(3-nitrophenyl)sulfamoyl]benzamido}benzoic acid
3-{2-chloro-5-[(3-nitrophenyl)sulfamoyl]benzamido}benzoic acid
Compound characteristics
| Compound ID: | 0489-0003 |
| Compound Name: | 3-{2-chloro-5-[(3-nitrophenyl)sulfamoyl]benzamido}benzoic acid |
| Molecular Weight: | 475.86 |
| Molecular Formula: | C20 H14 Cl N3 O7 S |
| Smiles: | c1cc(cc(c1)NC(c1cc(ccc1[Cl])S(Nc1cccc(c1)[N+]([O-])=O)(=O)=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6365 |
| logD: | 1.7507 |
| logSw: | -4.7087 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 125.769 |
| InChI Key: | QNNRUXIGEXFQSX-UHFFFAOYSA-N |