4-(2-{4-[(4-nitrophenyl)sulfanyl]phenyl}-1,3-dioxo-2,3-dihydro-1H-isoindole-5-sulfonyl)benzoic acid
Chemical Structure Depiction of
4-(2-{4-[(4-nitrophenyl)sulfanyl]phenyl}-1,3-dioxo-2,3-dihydro-1H-isoindole-5-sulfonyl)benzoic acid
4-(2-{4-[(4-nitrophenyl)sulfanyl]phenyl}-1,3-dioxo-2,3-dihydro-1H-isoindole-5-sulfonyl)benzoic acid
Compound characteristics
| Compound ID: | 2922-2397 |
| Compound Name: | 4-(2-{4-[(4-nitrophenyl)sulfanyl]phenyl}-1,3-dioxo-2,3-dihydro-1H-isoindole-5-sulfonyl)benzoic acid |
| Molecular Weight: | 560.56 |
| Molecular Formula: | C27 H16 N2 O8 S2 |
| Smiles: | c1cc(ccc1C(O)=O)S(c1ccc2C(N(C(c2c1)=O)c1ccc(cc1)Sc1ccc(cc1)[N+]([O-])=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8775 |
| logD: | 2.8196 |
| logSw: | -5.7452 |
| Hydrogen bond acceptors count: | 16 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 119.899 |
| InChI Key: | VUDIGGBTMGQAGJ-UHFFFAOYSA-N |