TL;DR: 1-{4-[4-(2-Phenylethenesulfonyl)piperazin-1-yl]phenyl}ethan-1-one (CAS 1198070-19-7) is a chemical compound with molecular formula C20H22N2O3S and molecular weight 370.1351 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[4-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]phenyl]ethanone
Also Known As: 1-{4-[4-(2-phenylethenesulfonyl)piperazin-1-yl]phenyl}ethan-1-one, 1-[4-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]phenyl]ethanone
| Molecular Formula | C20H22N2O3S |
| Molecular Weight | 370.1351 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 66.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 370.1351 Da |
| Heavy Atoms | 26 |
| Complexity | 589.0 |
| SMILES | CC(=O)C1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3 |
| InChIKey | PAQWPXWCYLKOCU-LFIBNONCSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-{4-[4-(2-Phenylethenesulfonyl)piperazin-1-yl]phenyl}ethan-1-one. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{4-[4-(2-Phenylethenesulfonyl)piperazin-1-yl]phenyl}ethan-1-one. Following Lipinski's Rule of Five, 1-{4-[4-(2-Phenylethenesulfonyl)piperazin-1-yl]phenyl}ethan-1-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-{4-[4-(2-Phenylethenesulfonyl)piperazin-1-yl]phenyl}ethan-1-one is 1198070-19-7.
The molecular formula of 1-{4-[4-(2-Phenylethenesulfonyl)piperazin-1-yl]phenyl}ethan-1-one is C20H22N2O3S.
The molecular weight of 1-{4-[4-(2-Phenylethenesulfonyl)piperazin-1-yl]phenyl}ethan-1-one is 370.1351 g/mol.
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