3-[5-(4-carboxybenzene-1-sulfonyl)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzoic acid
Chemical Structure Depiction of
3-[5-(4-carboxybenzene-1-sulfonyl)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzoic acid
3-[5-(4-carboxybenzene-1-sulfonyl)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzoic acid
Compound characteristics
| Compound ID: | 2922-0097 |
| Compound Name: | 3-[5-(4-carboxybenzene-1-sulfonyl)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzoic acid |
| Molecular Weight: | 451.41 |
| Molecular Formula: | C22 H13 N O8 S |
| Smiles: | c1cc(cc(c1)N1C(c2ccc(cc2C1=O)S(c1ccc(cc1)C(O)=O)(=O)=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6395 |
| logD: | 0.5817 |
| logSw: | -3.9344 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 115.197 |
| InChI Key: | XAOYKSCHIGHADV-UHFFFAOYSA-N |