TL;DR: 1-(4-Fluorobenzenesulfonyl)pyrrolidine (CAS 159623-34-4) is a chemical compound with molecular formula C10H12FNO2S and molecular weight 229.05728 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-fluorophenyl)sulfonylpyrrolidine
Also Known As: 1-((4-Fluorophenyl)sulfonyl)pyrrolidine, 1-(4-Fluorophenylsulfonyl)pyrrolidine, 1-(4-fluorophenyl)sulfonylpyrrolidine, 1-[(4-Fluorophenyl)sulphonyl]pyrrolidine, 1-(4-fluorobenzenesulfonyl)pyrrolidine
| Molecular Formula | C10H12FNO2S |
| Molecular Weight | 229.05728 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 229.05728 Da |
| Heavy Atoms | 15 |
| Complexity | 298.0 |
| SMILES | C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F |
| InChIKey | BLFZDHIRHPQTDJ-UHFFFAOYSA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Fluorobenzenesulfonyl)pyrrolidine. With a topological polar surface area (TPSA) of 45.8 Ų, 1-(4-Fluorobenzenesulfonyl)pyrrolidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Fluorobenzenesulfonyl)pyrrolidine has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-(4-Fluorobenzenesulfonyl)pyrrolidine is 159623-34-4.
The molecular formula of 1-(4-Fluorobenzenesulfonyl)pyrrolidine is C10H12FNO2S.
The molecular weight of 1-(4-Fluorobenzenesulfonyl)pyrrolidine is 229.05728 g/mol.
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