N-(3-chloro-4-cyanophenyl)-4-methylbenzenesulfonamide
TL;DR: N-(3-chloro-4-cyanophenyl)-4-methylbenzenesulfonamide (CAS 333442-88-9) is a chemical compound with molecular formula C14H11ClN2O2S and molecular weight 306.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-cyanophenyl)-4-methylbenzenesulfonamide
Also Known As: BAS 02064315, N-(3-chloro-4-cyanophenyl)-4-methylbenzenesulfonamide, AB00102683-01, N-(3-Chloro-4-cyano-phenyl)-4-methyl-benzenesulfonamide, 2-chloro-4-{[(4-methylphenyl)sulfonyl]amino}benzenecarbonitrile
| Molecular Formula | C14H11ClN2O2S |
|---|---|
| Molecular Weight | 306.02 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 78.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 306.02298 |
| Heavy Atoms | 20 |
| Complexity | 471.0 |
Chemical Identifiers
| CAS Number | 333442-88-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)C#N)Cl |
| InChIKey | RFWQYNRLVSXBEA-UHFFFAOYSA-N |
Product Overview
N-(3-chloro-4-cyanophenyl)-4-methylbenzenesulfonamide (CAS 333442-88-9), with molecular formula C14H11ClN2O2S and molecular weight 306.02 g/mol. IUPAC: N-(3-chloro-4-cyanophenyl)-4-methylbenzenesulfonamide.
Chemical Property Profile of N-(3-chloro-4-cyanophenyl)-4-methylbenzenesulfonamide
Property Insights of N-(3-chloro-4-cyanophenyl)-4-methylbenzenesulfonamide
The XLogP value of 3.2 indicates that N-(3-chloro-4-cyanophenyl)-4-methylbenzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.3 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-chloro-4-cyanophenyl)-4-methylbenzenesulfonamide. Following Lipinski's Rule of Five, N-(3-chloro-4-cyanophenyl)-4-methylbenzenesulfonamide 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)-4-methylbenzenesulfonamide?
The CAS number of N-(3-chloro-4-cyanophenyl)-4-methylbenzenesulfonamide is 333442-88-9.
What is the molecular formula of N-(3-chloro-4-cyanophenyl)-4-methylbenzenesulfonamide?
The molecular formula of N-(3-chloro-4-cyanophenyl)-4-methylbenzenesulfonamide is C14H11ClN2O2S.
What is the molecular weight of N-(3-chloro-4-cyanophenyl)-4-methylbenzenesulfonamide?
The molecular weight of N-(3-chloro-4-cyanophenyl)-4-methylbenzenesulfonamide is 306.02 g/mol.
Where can I buy N-(3-chloro-4-cyanophenyl)-4-methylbenzenesulfonamide?
You can request a quote for N-(3-chloro-4-cyanophenyl)-4-methylbenzenesulfonamide 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)-4-methylbenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-chloro-4-cyanophenyl)-4-methylbenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.