methyl 4-{[3-(methylsulfanyl)phenyl]sulfamoyl}-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-{[3-(methylsulfanyl)phenyl]sulfamoyl}-1H-pyrrole-2-carboxylate
methyl 4-{[3-(methylsulfanyl)phenyl]sulfamoyl}-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | E511-3935 |
| Compound Name: | methyl 4-{[3-(methylsulfanyl)phenyl]sulfamoyl}-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 326.39 |
| Molecular Formula: | C13 H14 N2 O4 S2 |
| Smiles: | COC(c1cc(c[nH]1)S(Nc1cccc(c1)SC)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4004 |
| logD: | 2.3986 |
| logSw: | -2.8864 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.218 |
| InChI Key: | FZHFQTVLRMSCGI-UHFFFAOYSA-N |