3-[5-(4-carboxybenzene-1-sulfonyl)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]-4-methylbenzoic acid
Chemical Structure Depiction of
3-[5-(4-carboxybenzene-1-sulfonyl)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]-4-methylbenzoic acid
3-[5-(4-carboxybenzene-1-sulfonyl)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]-4-methylbenzoic acid
Compound characteristics
| Compound ID: | 2922-2801 |
| Compound Name: | 3-[5-(4-carboxybenzene-1-sulfonyl)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]-4-methylbenzoic acid |
| Molecular Weight: | 465.44 |
| Molecular Formula: | C23 H15 N O8 S |
| Smiles: | Cc1ccc(cc1N1C(c2ccc(cc2C1=O)S(c1ccc(cc1)C(O)=O)(=O)=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.193 |
| logD: | 1.1352 |
| logSw: | -4.1913 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 114.896 |
| InChI Key: | PFVAWNLYXCMZJK-UHFFFAOYSA-N |