N-(3-chloro-4-cyanophenyl)methanesulfonamide
TL;DR: N-(3-chloro-4-cyanophenyl)methanesulfonamide (CAS 53313-04-5) is a chemical compound with molecular formula C8H7ClN2O2S and molecular weight 229.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-cyanophenyl)methanesulfonamide
Also Known As: N-(3-chloro-4-cyanophenyl)methanesulfonamide, N-(3-Chloro-4-cyano-phenyl)-methanesulfonamide, N-(3-Chloro-4-cyanophenyl)-methanesulfonamide, AB00682620-01, 2-chloro-4-[(methylsulfonyl)amino]benzenecarbonitrile
| Molecular Formula | C8H7ClN2O2S |
|---|---|
| Molecular Weight | 229.99 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 78.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 229.99167 |
| Heavy Atoms | 14 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 53313-04-5 |
|---|---|
| SMILES | CS(=O)(=O)NC1=CC(=C(C=C1)C#N)Cl |
| InChIKey | SFGGYLRBEPTSDS-UHFFFAOYSA-N |
Product Overview
N-(3-chloro-4-cyanophenyl)methanesulfonamide (CAS 53313-04-5), with molecular formula C8H7ClN2O2S and molecular weight 229.99 g/mol. IUPAC: N-(3-chloro-4-cyanophenyl)methanesulfonamide.
Chemical Property Profile of N-(3-chloro-4-cyanophenyl)methanesulfonamide
Property Insights of N-(3-chloro-4-cyanophenyl)methanesulfonamide
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-chloro-4-cyanophenyl)methanesulfonamide. The TPSA of 78.3 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-chloro-4-cyanophenyl)methanesulfonamide. Following Lipinski's Rule of Five, N-(3-chloro-4-cyanophenyl)methanesulfonamide 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 N-(3-chloro-4-cyanophenyl)methanesulfonamide?
The CAS number of N-(3-chloro-4-cyanophenyl)methanesulfonamide is 53313-04-5.
What is the molecular formula of N-(3-chloro-4-cyanophenyl)methanesulfonamide?
The molecular formula of N-(3-chloro-4-cyanophenyl)methanesulfonamide is C8H7ClN2O2S.
What is the molecular weight of N-(3-chloro-4-cyanophenyl)methanesulfonamide?
The molecular weight of N-(3-chloro-4-cyanophenyl)methanesulfonamide is 229.99 g/mol.
Where can I buy N-(3-chloro-4-cyanophenyl)methanesulfonamide?
You can request a quote for N-(3-chloro-4-cyanophenyl)methanesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-chloro-4-cyanophenyl)methanesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-chloro-4-cyanophenyl)methanesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.