TL;DR: 2-Pyrrolidinone, 1-((3,4-dichlorophenyl)sulfonyl)-5-ethoxy- (CAS 111711-55-8) is a chemical compound with molecular formula C12H13Cl2NO4S and molecular weight 336.99423 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3,4-dichlorophenyl)sulfonyl-5-ethoxypyrrolidin-2-one
Also Known As: 1-((3,4-Dichlorophenyl)sulfonyl)-5-ethoxy-2-pyrrolidinone, 2-Pyrrolidinone, 1-((3,4-dichlorophenyl)sulfonyl)-5-ethoxy-, 1-(3,4-dichlorophenyl)sulfonyl-5-ethoxypyrrolidin-2-one, 5-Ethoxy-1-[[3,4-dichlorophenyl]sulfonyl]pyrrolidin-2-one, 1-(3,4-Dichlorobenzene-1-sulfonyl)-5-ethoxypyrrolidin-2-one
| Molecular Formula | C12H13Cl2NO4S |
| Molecular Weight | 336.99423 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 336.99423 Da |
| Heavy Atoms | 20 |
| Complexity | 465.0 |
| SMILES | CCOC1CCC(=O)N1S(=O)(=O)C2=CC(=C(C=C2)Cl)Cl |
| InChIKey | MCGKUICRVXYIEI-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Pyrrolidinone, 1-((3,4-dichlorophenyl)sulfonyl)-5-ethoxy-. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Pyrrolidinone, 1-((3,4-dichlorophenyl)sulfonyl)-5-ethoxy-. Following Lipinski's Rule of Five, 2-Pyrrolidinone, 1-((3,4-dichlorophenyl)sulfonyl)-5-ethoxy- 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 2-Pyrrolidinone, 1-((3,4-dichlorophenyl)sulfonyl)-5-ethoxy- is 111711-55-8.
The molecular formula of 2-Pyrrolidinone, 1-((3,4-dichlorophenyl)sulfonyl)-5-ethoxy- is C12H13Cl2NO4S.
The molecular weight of 2-Pyrrolidinone, 1-((3,4-dichlorophenyl)sulfonyl)-5-ethoxy- is 336.99423 g/mol.
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