4-chloro-N-(cyanomethyl)benzenesulfonamide
TL;DR: 4-chloro-N-(cyanomethyl)benzenesulfonamide (CAS 218920-93-5) 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.
4-chloro-N-(cyanomethyl)benzenesulfonamide
Also Known As: 4-chloro-N-(cyanomethyl)benzenesulfonamide, 4-Chloro-N-cyanomethyl-benzenesulfonamide, BAS 00624900, 2-{[(4-chlorophenyl)sulfonyl]amino}ethanenitrile, 4-CHLORO-N-(CYANOMETHYL)BENZENE-1-SULFONAMIDE
| Molecular Formula | C8H7ClN2O2S |
|---|---|
| Molecular Weight | 229.99 g/mol |
| LogP | 1.14188 |
| Topological Polar Surface Area | 69.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 229.99167 |
| Heavy Atoms | 14 |
| Complexity | 447.2248 |
Chemical Identifiers
| CAS Number | 218920-93-5 |
|---|---|
| SMILES | C1=CC(=CC=C1S(=O)(=O)NCC#N)Cl |
Product Overview
4-chloro-N-(cyanomethyl)benzenesulfonamide (CAS 218920-93-5), with molecular formula C8H7ClN2O2S and molecular weight 229.99 g/mol. IUPAC: 4-chloro-N-(cyanomethyl)benzenesulfonamide.
Chemical Property Profile of 4-chloro-N-(cyanomethyl)benzenesulfonamide
Property Insights of 4-chloro-N-(cyanomethyl)benzenesulfonamide
The XLogP value of 1.14188 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-chloro-N-(cyanomethyl)benzenesulfonamide. The TPSA of 69.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-chloro-N-(cyanomethyl)benzenesulfonamide. Following Lipinski's Rule of Five, 4-chloro-N-(cyanomethyl)benzenesulfonamide 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 4-chloro-N-(cyanomethyl)benzenesulfonamide?
The CAS number of 4-chloro-N-(cyanomethyl)benzenesulfonamide is 218920-93-5.
What is the molecular formula of 4-chloro-N-(cyanomethyl)benzenesulfonamide?
The molecular formula of 4-chloro-N-(cyanomethyl)benzenesulfonamide is C8H7ClN2O2S.
What is the molecular weight of 4-chloro-N-(cyanomethyl)benzenesulfonamide?
The molecular weight of 4-chloro-N-(cyanomethyl)benzenesulfonamide is 229.99 g/mol.
Where can I buy 4-chloro-N-(cyanomethyl)benzenesulfonamide?
You can request a quote for 4-chloro-N-(cyanomethyl)benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-N-(cyanomethyl)benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-N-(cyanomethyl)benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.