4-[2-(2-hydroxy-5-methylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-sulfonyl]benzoic acid
Chemical Structure Depiction of
4-[2-(2-hydroxy-5-methylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-sulfonyl]benzoic acid
4-[2-(2-hydroxy-5-methylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-sulfonyl]benzoic acid
Compound characteristics
| Compound ID: | 2922-2400 |
| Compound Name: | 4-[2-(2-hydroxy-5-methylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-sulfonyl]benzoic acid |
| Molecular Weight: | 437.43 |
| Molecular Formula: | C22 H15 N O7 S |
| Smiles: | Cc1ccc(c(c1)N1C(c2ccc(cc2C1=O)S(c1ccc(cc1)C(O)=O)(=O)=O)=O)O |
| Stereo: | ACHIRAL |
| logP: | 4.0704 |
| logD: | 1.0126 |
| logSw: | -3.831 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 103.036 |
| InChI Key: | WXNUNGBWYPSUNY-UHFFFAOYSA-N |