N-(5-{[(4-fluorophenyl)methyl](methyl)sulfamoyl}-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide
Chemical Structure Depiction of
N-(5-{[(4-fluorophenyl)methyl](methyl)sulfamoyl}-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide
N-(5-{[(4-fluorophenyl)methyl](methyl)sulfamoyl}-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | E880-0389 |
| Compound Name: | N-(5-{[(4-fluorophenyl)methyl](methyl)sulfamoyl}-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide |
| Molecular Weight: | 451.45 |
| Molecular Formula: | C17 H14 F N5 O5 S2 |
| Smiles: | CN(Cc1ccc(cc1)F)S(c1nnc(NC(c2cccc(c2)[N+]([O-])=O)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.423 |
| logD: | 0.6818 |
| logSw: | -3.8704 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 112.595 |
| InChI Key: | KJKNUWBXKNWWRI-UHFFFAOYSA-N |