3-{3-[(3-hydroxypropyl)sulfamoyl]-4-methylphenyl}prop-2-enoic acid
Chemical Structure Depiction of
3-{3-[(3-hydroxypropyl)sulfamoyl]-4-methylphenyl}prop-2-enoic acid
3-{3-[(3-hydroxypropyl)sulfamoyl]-4-methylphenyl}prop-2-enoic acid
Compound characteristics
| Compound ID: | 3347-3589 |
| Compound Name: | 3-{3-[(3-hydroxypropyl)sulfamoyl]-4-methylphenyl}prop-2-enoic acid |
| Molecular Weight: | 299.34 |
| Molecular Formula: | C13 H17 N O5 S |
| Smiles: | Cc1ccc(/C=C/C(O)=O)cc1S(NCCCO)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3734 |
| logD: | -1.8172 |
| logSw: | -2.053 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.149 |
| InChI Key: | LTHDEOLHQDOWDP-UHFFFAOYSA-N |