5-Ethoxy-1-(4-nitrobenzene-1-sulfonyl)pyrrolidin-2-one
TL;DR: 5-Ethoxy-1-(4-nitrobenzene-1-sulfonyl)pyrrolidin-2-one (CAS 111711-48-9) is a chemical compound with molecular formula C12H14N2O6S and molecular weight 314.05725 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-ethoxy-1-(4-nitrophenyl)sulfonylpyrrolidin-2-one
Also Known As: 5-ethoxy-1-(4-nitrophenyl)sulfonylpyrrolidin-2-one, 5-Ethoxy-1-((4-nitrophenyl)sulfonyl)-2-pyrrolidinone, 2-Pyrrolidinone, 5-ethoxy-1-((4-nitrophenyl)sulfonyl)-, 5-ETHOXY-1-(4-NITROPHENYL)SULFONYL-PYRROLIDIN-2-ONE, 2-Pyrrolidinone,5-ethoxy-1-[(4-nitrophenyl)sulfonyl]-
Technical Specifications
| Molecular Formula | C12H14N2O6S |
| Molecular Weight | 314.05725 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.05725 Da |
| Heavy Atoms | 21 |
| Complexity | 501.0 |
| SMILES | CCOC1CCC(=O)N1S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | JRUPWSVHCWERNT-UHFFFAOYSA-N |
Chemical Property Profile of 5-Ethoxy-1-(4-nitrobenzene-1-sulfonyl)pyrrolidin-2-one
Property Insights of 5-Ethoxy-1-(4-nitrobenzene-1-sulfonyl)pyrrolidin-2-one
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Ethoxy-1-(4-nitrobenzene-1-sulfonyl)pyrrolidin-2-one. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Ethoxy-1-(4-nitrobenzene-1-sulfonyl)pyrrolidin-2-one. Following Lipinski's Rule of Five, 5-Ethoxy-1-(4-nitrobenzene-1-sulfonyl)pyrrolidin-2-one has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-Ethoxy-1-(4-nitrobenzene-1-sulfonyl)pyrrolidin-2-one?
The CAS number of 5-Ethoxy-1-(4-nitrobenzene-1-sulfonyl)pyrrolidin-2-one is 111711-48-9.
What is the molecular formula of 5-Ethoxy-1-(4-nitrobenzene-1-sulfonyl)pyrrolidin-2-one?
The molecular formula of 5-Ethoxy-1-(4-nitrobenzene-1-sulfonyl)pyrrolidin-2-one is C12H14N2O6S.
What is the molecular weight of 5-Ethoxy-1-(4-nitrobenzene-1-sulfonyl)pyrrolidin-2-one?
The molecular weight of 5-Ethoxy-1-(4-nitrobenzene-1-sulfonyl)pyrrolidin-2-one is 314.05725 g/mol.
Where can I buy 5-Ethoxy-1-(4-nitrobenzene-1-sulfonyl)pyrrolidin-2-one?
You can request a quote for 5-Ethoxy-1-(4-nitrobenzene-1-sulfonyl)pyrrolidin-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Ethoxy-1-(4-nitrobenzene-1-sulfonyl)pyrrolidin-2-one?
Yes, CoreyChem provides custom synthesis services for 5-Ethoxy-1-(4-nitrobenzene-1-sulfonyl)pyrrolidin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.