5-chloro-2-(ethanesulfonyl)-N-{4-[methyl(phenyl)sulfamoyl]phenyl}pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-2-(ethanesulfonyl)-N-{4-[methyl(phenyl)sulfamoyl]phenyl}pyrimidine-4-carboxamide
5-chloro-2-(ethanesulfonyl)-N-{4-[methyl(phenyl)sulfamoyl]phenyl}pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D053-0371 |
| Compound Name: | 5-chloro-2-(ethanesulfonyl)-N-{4-[methyl(phenyl)sulfamoyl]phenyl}pyrimidine-4-carboxamide |
| Molecular Weight: | 494.97 |
| Molecular Formula: | C20 H19 Cl N4 O5 S2 |
| Smiles: | [H]N(C(c1c(cnc(n1)S(CC)(=O)=O)[Cl])=O)c1ccc(cc1)S(N(C)c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2187 |
| logD: | 2.6033 |
| logSw: | -3.5531 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 104.6 |
| InChI Key: | BQRKTURWLVUUPM-UHFFFAOYSA-N |