3-{[3-(4-chlorobenzene-1-sulfonyl)benzene-1-sulfonyl]amino}benzoic acid
Chemical Structure Depiction of
3-{[3-(4-chlorobenzene-1-sulfonyl)benzene-1-sulfonyl]amino}benzoic acid
3-{[3-(4-chlorobenzene-1-sulfonyl)benzene-1-sulfonyl]amino}benzoic acid
Compound characteristics
| Compound ID: | 0668-0017 |
| Compound Name: | 3-{[3-(4-chlorobenzene-1-sulfonyl)benzene-1-sulfonyl]amino}benzoic acid |
| Molecular Weight: | 451.9 |
| Molecular Formula: | C19 H14 Cl N O6 S2 |
| Smiles: | c1cc(cc(c1)NS(c1cccc(c1)S(c1ccc(cc1)[Cl])(=O)=O)(=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4747 |
| logD: | 1.7245 |
| logSw: | -4.4958 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.797 |
| InChI Key: | ZJOOXWFRQRHJMG-UHFFFAOYSA-N |