4-[2-(3-ethynylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-sulfonyl]benzoic acid
Chemical Structure Depiction of
4-[2-(3-ethynylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-sulfonyl]benzoic acid
4-[2-(3-ethynylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-sulfonyl]benzoic acid
Compound characteristics
| Compound ID: | 8005-9463 |
| Compound Name: | 4-[2-(3-ethynylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-sulfonyl]benzoic acid |
| Molecular Weight: | 431.42 |
| Molecular Formula: | C23 H13 N O6 S |
| Smiles: | C#Cc1cccc(c1)N1C(c2ccc(cc2C1=O)S(c1ccc(cc1)C(O)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8726 |
| logD: | 0.8147 |
| logSw: | -4.0534 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.789 |
| InChI Key: | BAAAQQZQEKRQBA-UHFFFAOYSA-N |