TL;DR: 1-[(2-Chloro-6-fluorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one (CAS 1251697-76-3) is a chemical compound with molecular formula C16H16ClFN2O3S and molecular weight 370.05542 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(2-chloro-6-fluorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
Also Known As: F3406-9357, 1-[(2-chloro-6-fluorophenyl)methyl]-5-(pyrrolidine-1-sulfonyl)-1,2-dihydropyridin-2-one, 1-(2-chloro-6-fluorobenzyl)-5-(pyrrolidin-1-ylsulfonyl)pyridin-2(1H)-one, 1-[(2-chloro-6-fluorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
| Molecular Formula | C16H16ClFN2O3S |
| Molecular Weight | 370.05542 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 66.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 370.05542 Da |
| Heavy Atoms | 24 |
| Complexity | 653.0 |
| SMILES | C1CCN(C1)S(=O)(=O)C2=CN(C(=O)C=C2)CC3=C(C=CC=C3Cl)F |
| InChIKey | WYMSUJDYSOCXSE-UHFFFAOYSA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(2-Chloro-6-fluorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(2-Chloro-6-fluorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one. Following Lipinski's Rule of Five, 1-[(2-Chloro-6-fluorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-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-[(2-Chloro-6-fluorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one is 1251697-76-3.
The molecular formula of 1-[(2-Chloro-6-fluorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one is C16H16ClFN2O3S.
The molecular weight of 1-[(2-Chloro-6-fluorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one is 370.05542 g/mol.
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