TL;DR: 4-(Phenylsulfonyl)piperidine (CAS 168110-44-9) is a chemical compound with molecular formula C11H15NO2S and molecular weight 225.08235 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(benzenesulfonyl)piperidine
Also Known As: 4-(phenylsulfonyl)piperidine, 4-(benzenesulfonyl)piperidine, Piperidine, 4-(phenylsulfonyl)-, 4-Benzenesulfonylpiperidine hydrochloride, Micafungin FR-179642 impurity (acid)
| Molecular Formula | C11H15NO2S |
| Molecular Weight | 225.08235 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 54.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 225.08235 Da |
| Heavy Atoms | 15 |
| Complexity | 282.0 |
| SMILES | C1CNCCC1S(=O)(=O)C2=CC=CC=C2 |
| InChIKey | PMIWSPDQRMEORO-UHFFFAOYSA-N |
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Phenylsulfonyl)piperidine. With a topological polar surface area (TPSA) of 54.6 Ų, 4-(Phenylsulfonyl)piperidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Phenylsulfonyl)piperidine has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-(Phenylsulfonyl)piperidine is 168110-44-9.
The molecular formula of 4-(Phenylsulfonyl)piperidine is C11H15NO2S.
The molecular weight of 4-(Phenylsulfonyl)piperidine is 225.08235 g/mol.
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