TL;DR: 2-(4-chlorophenyl)sulfanyl-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide (CAS 712292-00-7) is a chemical compound with molecular formula C19H22ClN3O3S2 and molecular weight 439.0791 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-chlorophenyl)sulfanyl-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide
Also Known As: 2-(4-chlorophenyl)sulfanyl-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide, 2-[(4-chlorophenyl)sulfanyl]-N-{2-[4-(methylsulfonyl)piperazin-1-yl]phenyl}acetamide, 2-[(4-chlorophenyl)thio]-N-[2-(4-mesylpiperazino)phenyl]acetamide, 2-[(4-chlorophenyl)thio]-N-{2-[4-(methylsulfonyl)-1-piperazinyl]phenyl}acetamide, 2-(4-chlorophenyl)sulfanyl-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]ethanamide
| Molecular Formula | C19H22ClN3O3S2 |
| Molecular Weight | 439.0791 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 439.0791 Da |
| Heavy Atoms | 28 |
| Complexity | 612.0 |
| SMILES | CS(=O)(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)CSC3=CC=C(C=C3)Cl |
| InChIKey | CULQEFVJYMPVNH-UHFFFAOYSA-N |
The XLogP value of 3.1 indicates that 2-(4-chlorophenyl)sulfanyl-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-chlorophenyl)sulfanyl-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide. Following Lipinski's Rule of Five, 2-(4-chlorophenyl)sulfanyl-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-(4-chlorophenyl)sulfanyl-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide is 712292-00-7.
The molecular formula of 2-(4-chlorophenyl)sulfanyl-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide is C19H22ClN3O3S2.
The molecular weight of 2-(4-chlorophenyl)sulfanyl-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide is 439.0791 g/mol.
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