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N-{3-[(difluoromethyl)sulfonyl]phenyl}-4-(1-pyrrolidinylsulfonyl)benzamide
TL;DR: N-{3-[(difluoromethyl)sulfonyl]phenyl}-4-(1-pyrrolidinylsulfonyl)benzamide (CAS 690249-61-7) is a chemical compound with molecular formula C18H18F2N2O5S2 and molecular weight 444.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(difluoromethylsulfonyl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
Also Known As: N-{3-[(difluoromethyl)sulfonyl]phenyl}-4-(1-pyrrolidinylsulfonyl)benzamide, N-[3-(difluoromethylsulfonyl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide, N-(3-DIFLUOROMETHANESULFONYLPHENYL)-4-(PYRROLIDINE-1-SULFONYL)BENZAMIDE, N-(3-((difluoromethyl)sulfonyl)phenyl)-4-(pyrrolidin-1-ylsulfonyl)benzamide, N-{3-[(difluoromethyl)sulfonyl]phenyl}-4-(pyrrolidin-1-ylsulfonyl)benzamide
| Molecular Formula | C18H18F2N2O5S2 |
|---|---|
| Molecular Weight | 444.06 g/mol |
| LogP | 2.7197 |
| Topological Polar Surface Area | 100.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 444.06253 |
| Heavy Atoms | 29 |
| Complexity | 1111.1954 |
Chemical Identifiers
| CAS Number | 690249-61-7 |
|---|---|
| SMILES | C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)C(F)F |
Product Overview
N-{3-[(difluoromethyl)sulfonyl]phenyl}-4-(1-pyrrolidinylsulfonyl)benzamide (CAS 690249-61-7), with molecular formula C18H18F2N2O5S2 and molecular weight 444.06 g/mol. IUPAC: N-[3-(difluoromethylsulfonyl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide.
Chemical Property Profile of N-{3-[(difluoromethyl)sulfonyl]phenyl}-4-(1-pyrrolidinylsulfonyl)benzamide
Property Insights of N-{3-[(difluoromethyl)sulfonyl]phenyl}-4-(1-pyrrolidinylsulfonyl)benzamide
The XLogP value of 2.7197 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-{3-[(difluoromethyl)sulfonyl]phenyl}-4-(1-pyrrolidinylsulfonyl)benzamide. The TPSA of 100.62 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{3-[(difluoromethyl)sulfonyl]phenyl}-4-(1-pyrrolidinylsulfonyl)benzamide. Following Lipinski's Rule of Five, N-{3-[(difluoromethyl)sulfonyl]phenyl}-4-(1-pyrrolidinylsulfonyl)benzamide has 1 hydrogen bond donor(s) and 5 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 N-{3-[(difluoromethyl)sulfonyl]phenyl}-4-(1-pyrrolidinylsulfonyl)benzamide?
The CAS number of N-{3-[(difluoromethyl)sulfonyl]phenyl}-4-(1-pyrrolidinylsulfonyl)benzamide is 690249-61-7.
What is the molecular formula of N-{3-[(difluoromethyl)sulfonyl]phenyl}-4-(1-pyrrolidinylsulfonyl)benzamide?
The molecular formula of N-{3-[(difluoromethyl)sulfonyl]phenyl}-4-(1-pyrrolidinylsulfonyl)benzamide is C18H18F2N2O5S2.
What is the molecular weight of N-{3-[(difluoromethyl)sulfonyl]phenyl}-4-(1-pyrrolidinylsulfonyl)benzamide?
The molecular weight of N-{3-[(difluoromethyl)sulfonyl]phenyl}-4-(1-pyrrolidinylsulfonyl)benzamide is 444.06 g/mol.
Where can I buy N-{3-[(difluoromethyl)sulfonyl]phenyl}-4-(1-pyrrolidinylsulfonyl)benzamide?
You can request a quote for N-{3-[(difluoromethyl)sulfonyl]phenyl}-4-(1-pyrrolidinylsulfonyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{3-[(difluoromethyl)sulfonyl]phenyl}-4-(1-pyrrolidinylsulfonyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-{3-[(difluoromethyl)sulfonyl]phenyl}-4-(1-pyrrolidinylsulfonyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.