3-Chloro-N-(3-cyano-4-(methylsulfonyl)phenyl)benzenecarboxamide
TL;DR: 3-Chloro-N-(3-cyano-4-(methylsulfonyl)phenyl)benzenecarboxamide (CAS 477866-71-0) is a chemical compound with molecular formula C15H11ClN2O3S and molecular weight 334.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-(3-cyano-4-methylsulfonylphenyl)benzamide
Also Known As: 1L-512S, 3-chloro-N-(3-cyano-4-methylsulfonylphenyl)benzamide, 3-Chloro-N-(3-cyano-4-(methylsulfonyl)phenyl)benzenecarboxamide, 3-chloro-N-(3-cyano-4-methanesulfonylphenyl)benzamide, 3-chloro-N-[3-cyano-4-(methylsulfonyl)phenyl]benzenecarboxamide
| Molecular Formula | C15H11ClN2O3S |
|---|---|
| Molecular Weight | 334.02 g/mol |
| LogP | 2.86748 |
| Topological Polar Surface Area | 87.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 334.01788 |
| Heavy Atoms | 22 |
| Complexity | 885.9008 |
Chemical Identifiers
| CAS Number | 477866-71-0 |
|---|---|
| SMILES | CS(=O)(=O)C1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)Cl)C#N |
Product Overview
3-Chloro-N-(3-cyano-4-(methylsulfonyl)phenyl)benzenecarboxamide (CAS 477866-71-0), with molecular formula C15H11ClN2O3S and molecular weight 334.02 g/mol. IUPAC: 3-chloro-N-(3-cyano-4-methylsulfonylphenyl)benzamide.
Chemical Property Profile of 3-Chloro-N-(3-cyano-4-(methylsulfonyl)phenyl)benzenecarboxamide
Property Insights of 3-Chloro-N-(3-cyano-4-(methylsulfonyl)phenyl)benzenecarboxamide
The XLogP value of 2.86748 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-N-(3-cyano-4-(methylsulfonyl)phenyl)benzenecarboxamide. The TPSA of 87.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Chloro-N-(3-cyano-4-(methylsulfonyl)phenyl)benzenecarboxamide. Following Lipinski's Rule of Five, 3-Chloro-N-(3-cyano-4-(methylsulfonyl)phenyl)benzenecarboxamide has 1 hydrogen bond donor(s) and 4 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 3-Chloro-N-(3-cyano-4-(methylsulfonyl)phenyl)benzenecarboxamide?
The CAS number of 3-Chloro-N-(3-cyano-4-(methylsulfonyl)phenyl)benzenecarboxamide is 477866-71-0.
What is the molecular formula of 3-Chloro-N-(3-cyano-4-(methylsulfonyl)phenyl)benzenecarboxamide?
The molecular formula of 3-Chloro-N-(3-cyano-4-(methylsulfonyl)phenyl)benzenecarboxamide is C15H11ClN2O3S.
What is the molecular weight of 3-Chloro-N-(3-cyano-4-(methylsulfonyl)phenyl)benzenecarboxamide?
The molecular weight of 3-Chloro-N-(3-cyano-4-(methylsulfonyl)phenyl)benzenecarboxamide is 334.02 g/mol.
Where can I buy 3-Chloro-N-(3-cyano-4-(methylsulfonyl)phenyl)benzenecarboxamide?
You can request a quote for 3-Chloro-N-(3-cyano-4-(methylsulfonyl)phenyl)benzenecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-N-(3-cyano-4-(methylsulfonyl)phenyl)benzenecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-N-(3-cyano-4-(methylsulfonyl)phenyl)benzenecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.