TL;DR: 2-Pyrrolidinone, 5-(1-methylethoxy)-1-((3-(trifluoromethyl)phenyl)sulfonyl)- (CAS 111711-92-3) is a chemical compound with molecular formula C14H16F3NO4S and molecular weight 351.07523 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-propan-2-yloxy-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-one
Also Known As: 5-(1-Methylethoxy)-1-((3-(trifluoromethyl)phenyl)sulfonyl)-2-pyrrolidinone, 2-Pyrrolidinone, 5-(1-methylethoxy)-1-((3-(trifluoromethyl)phenyl)sulfonyl)-, 5-(propan-2-yloxy)-1-[3-(trifluoromethyl)benzenesulfonyl]pyrrolidin-2-one, 5-Isopropoxy-1-[(3-(trifluoromethyl)phenyl)sulfonyl]pyrrolidin-2-one, 5-propan-2-yloxy-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-one
| Molecular Formula | C14H16F3NO4S |
| Molecular Weight | 351.07523 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 351.07523 Da |
| Heavy Atoms | 23 |
| Complexity | 541.0 |
| SMILES | CC(C)OC1CCC(=O)N1S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F |
| InChIKey | FCECKPSEBQWTHG-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Pyrrolidinone, 5-(1-methylethoxy)-1-((3-(trifluoromethyl)phenyl)sulfonyl)-. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Pyrrolidinone, 5-(1-methylethoxy)-1-((3-(trifluoromethyl)phenyl)sulfonyl)-. Following Lipinski's Rule of Five, 2-Pyrrolidinone, 5-(1-methylethoxy)-1-((3-(trifluoromethyl)phenyl)sulfonyl)- has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-Pyrrolidinone, 5-(1-methylethoxy)-1-((3-(trifluoromethyl)phenyl)sulfonyl)- is 111711-92-3.
The molecular formula of 2-Pyrrolidinone, 5-(1-methylethoxy)-1-((3-(trifluoromethyl)phenyl)sulfonyl)- is C14H16F3NO4S.
The molecular weight of 2-Pyrrolidinone, 5-(1-methylethoxy)-1-((3-(trifluoromethyl)phenyl)sulfonyl)- is 351.07523 g/mol.
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