3-{3-[(4-nitrobenzene-1-sulfonyl)amino]phenyl}prop-2-enoic acid
Chemical Structure Depiction of
3-{3-[(4-nitrobenzene-1-sulfonyl)amino]phenyl}prop-2-enoic acid
3-{3-[(4-nitrobenzene-1-sulfonyl)amino]phenyl}prop-2-enoic acid
Compound characteristics
| Compound ID: | 0905-0059 |
| Compound Name: | 3-{3-[(4-nitrobenzene-1-sulfonyl)amino]phenyl}prop-2-enoic acid |
| Molecular Weight: | 348.33 |
| Molecular Formula: | C15 H12 N2 O6 S |
| Smiles: | C(=C/c1cccc(c1)NS(c1ccc(cc1)[N+]([O-])=O)(=O)=O)\C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.11 |
| logD: | -0.0806 |
| logSw: | -3.5275 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.653 |
| InChI Key: | WSLSBRUFDZPPHF-UHFFFAOYSA-N |