4-[2-(2-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-sulfonyl]benzoic acid
Chemical Structure Depiction of
4-[2-(2-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-sulfonyl]benzoic acid
4-[2-(2-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-sulfonyl]benzoic acid
Compound characteristics
| Compound ID: | 2922-1717 |
| Compound Name: | 4-[2-(2-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-sulfonyl]benzoic acid |
| Molecular Weight: | 452.4 |
| Molecular Formula: | C21 H12 N2 O8 S |
| Smiles: | c1ccc(c(c1)[N+]([O-])=O)N1C(c2ccc(cc2C1=O)S(c1ccc(cc1)C(O)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6261 |
| logD: | 0.5682 |
| logSw: | -4.0196 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 119.568 |
| InChI Key: | CDAQMFOIZKVYCI-UHFFFAOYSA-N |