1-(4-bromobenzenesulfonyl)-N-(3,4-difluorophenyl)pyrrolidine-2-carboxamide
TL;DR: 1-(4-bromobenzenesulfonyl)-N-(3,4-difluorophenyl)pyrrolidine-2-carboxamide (CAS 317377-76-7) is a chemical compound with molecular formula C17H15BrF2N2O3S and molecular weight 444.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromophenyl)sulfonyl-N-(3,4-difluorophenyl)pyrrolidine-2-carboxamide
Also Known As: 12G-381S, 1-(4-bromobenzenesulfonyl)-N-(3,4-difluorophenyl)pyrrolidine-2-carboxamide, 1-(4-bromophenyl)sulfonyl-N-(3,4-difluorophenyl)pyrrolidine-2-carboxamide, 1-[(4-bromophenyl)sulfonyl]-N-(3,4-difluorophenyl)-2-pyrrolidinecarboxamide
| Molecular Formula | C17H15BrF2N2O3S |
|---|---|
| Molecular Weight | 444.00 g/mol |
| LogP | 3.5191 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 443.99548 |
| Heavy Atoms | 26 |
| Complexity | 935.52423 |
Chemical Identifiers
| CAS Number | 317377-76-7 |
|---|---|
| SMILES | C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)Br)C(=O)NC3=CC(=C(C=C3)F)F |
Product Overview
1-(4-bromobenzenesulfonyl)-N-(3,4-difluorophenyl)pyrrolidine-2-carboxamide (CAS 317377-76-7), with molecular formula C17H15BrF2N2O3S and molecular weight 444.00 g/mol. IUPAC: 1-(4-bromophenyl)sulfonyl-N-(3,4-difluorophenyl)pyrrolidine-2-carboxamide.
Chemical Property Profile of 1-(4-bromobenzenesulfonyl)-N-(3,4-difluorophenyl)pyrrolidine-2-carboxamide
Property Insights of 1-(4-bromobenzenesulfonyl)-N-(3,4-difluorophenyl)pyrrolidine-2-carboxamide
The XLogP value of 3.5191 indicates that 1-(4-bromobenzenesulfonyl)-N-(3,4-difluorophenyl)pyrrolidine-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-bromobenzenesulfonyl)-N-(3,4-difluorophenyl)pyrrolidine-2-carboxamide. Following Lipinski's Rule of Five, 1-(4-bromobenzenesulfonyl)-N-(3,4-difluorophenyl)pyrrolidine-2-carboxamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(4-bromobenzenesulfonyl)-N-(3,4-difluorophenyl)pyrrolidine-2-carboxamide?
The CAS number of 1-(4-bromobenzenesulfonyl)-N-(3,4-difluorophenyl)pyrrolidine-2-carboxamide is 317377-76-7.
What is the molecular formula of 1-(4-bromobenzenesulfonyl)-N-(3,4-difluorophenyl)pyrrolidine-2-carboxamide?
The molecular formula of 1-(4-bromobenzenesulfonyl)-N-(3,4-difluorophenyl)pyrrolidine-2-carboxamide is C17H15BrF2N2O3S.
What is the molecular weight of 1-(4-bromobenzenesulfonyl)-N-(3,4-difluorophenyl)pyrrolidine-2-carboxamide?
The molecular weight of 1-(4-bromobenzenesulfonyl)-N-(3,4-difluorophenyl)pyrrolidine-2-carboxamide is 444.00 g/mol.
Where can I buy 1-(4-bromobenzenesulfonyl)-N-(3,4-difluorophenyl)pyrrolidine-2-carboxamide?
You can request a quote for 1-(4-bromobenzenesulfonyl)-N-(3,4-difluorophenyl)pyrrolidine-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-bromobenzenesulfonyl)-N-(3,4-difluorophenyl)pyrrolidine-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-bromobenzenesulfonyl)-N-(3,4-difluorophenyl)pyrrolidine-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.