3-[(6-cyano-2H-1,3-benzodioxol-5-yl)sulfamoyl]-4-methyl-N-(4-nitrophenyl)benzamide
Chemical Structure Depiction of
3-[(6-cyano-2H-1,3-benzodioxol-5-yl)sulfamoyl]-4-methyl-N-(4-nitrophenyl)benzamide
3-[(6-cyano-2H-1,3-benzodioxol-5-yl)sulfamoyl]-4-methyl-N-(4-nitrophenyl)benzamide
Compound characteristics
| Compound ID: | 8015-4342 |
| Compound Name: | 3-[(6-cyano-2H-1,3-benzodioxol-5-yl)sulfamoyl]-4-methyl-N-(4-nitrophenyl)benzamide |
| Molecular Weight: | 480.45 |
| Molecular Formula: | C22 H16 N4 O7 S |
| Smiles: | Cc1ccc(cc1S(Nc1cc2c(cc1C#N)OCO2)(=O)=O)C(Nc1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9934 |
| logD: | 0.5977 |
| logSw: | -4.2299 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 130.835 |
| InChI Key: | KJCXHCZMGNVFTP-UHFFFAOYSA-N |