4-[2-(3-methyl-4-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-sulfonyl]benzoic acid
Chemical Structure Depiction of
4-[2-(3-methyl-4-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-sulfonyl]benzoic acid
4-[2-(3-methyl-4-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-sulfonyl]benzoic acid
Compound characteristics
| Compound ID: | 8009-1084 |
| Compound Name: | 4-[2-(3-methyl-4-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-sulfonyl]benzoic acid |
| Molecular Weight: | 466.42 |
| Molecular Formula: | C22 H14 N2 O8 S |
| Smiles: | Cc1cc(ccc1[N+]([O-])=O)N1C(c2ccc(cc2C1=O)S(c1ccc(cc1)C(O)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2671 |
| logD: | 1.2093 |
| logSw: | -4.2816 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 119.869 |
| InChI Key: | BWEOZHIJIVKXFD-UHFFFAOYSA-N |