N-(2-Chloro-2-cyano-ethyl)-4-methyl-benzenesulfonamide
TL;DR: N-(2-Chloro-2-cyano-ethyl)-4-methyl-benzenesulfonamide (CAS 42883-03-4) is a chemical compound with molecular formula C10H11ClN2O2S and molecular weight 258.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-chloro-2-cyanoethyl)-4-methylbenzenesulfonamide
Also Known As: N-(2-chloro-2-cyanoethyl)-4-methylbenzenesulfonamide, N-(2-CHLORO-2-CYANO-ETHYL)-4-METHYL-BENZENESULFONAMIDE, N-(2-Chloro-2-cyanoethyl)-4-methylbenzene-1-sulfonamide
| Molecular Formula | C10H11ClN2O2S |
|---|---|
| Molecular Weight | 258.02 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 78.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 258.02298 |
| Heavy Atoms | 16 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 42883-03-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NCC(C#N)Cl |
| InChIKey | XAPTWFDHJNWRNF-UHFFFAOYSA-N |
Product Overview
N-(2-Chloro-2-cyano-ethyl)-4-methyl-benzenesulfonamide (CAS 42883-03-4), with molecular formula C10H11ClN2O2S and molecular weight 258.02 g/mol. IUPAC: N-(2-chloro-2-cyanoethyl)-4-methylbenzenesulfonamide.
Chemical Property Profile of N-(2-Chloro-2-cyano-ethyl)-4-methyl-benzenesulfonamide
Property Insights of N-(2-Chloro-2-cyano-ethyl)-4-methyl-benzenesulfonamide
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-Chloro-2-cyano-ethyl)-4-methyl-benzenesulfonamide. The TPSA of 78.3 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-Chloro-2-cyano-ethyl)-4-methyl-benzenesulfonamide. Following Lipinski's Rule of Five, N-(2-Chloro-2-cyano-ethyl)-4-methyl-benzenesulfonamide 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-(2-Chloro-2-cyano-ethyl)-4-methyl-benzenesulfonamide?
The CAS number of N-(2-Chloro-2-cyano-ethyl)-4-methyl-benzenesulfonamide is 42883-03-4.
What is the molecular formula of N-(2-Chloro-2-cyano-ethyl)-4-methyl-benzenesulfonamide?
The molecular formula of N-(2-Chloro-2-cyano-ethyl)-4-methyl-benzenesulfonamide is C10H11ClN2O2S.
What is the molecular weight of N-(2-Chloro-2-cyano-ethyl)-4-methyl-benzenesulfonamide?
The molecular weight of N-(2-Chloro-2-cyano-ethyl)-4-methyl-benzenesulfonamide is 258.02 g/mol.
Where can I buy N-(2-Chloro-2-cyano-ethyl)-4-methyl-benzenesulfonamide?
You can request a quote for N-(2-Chloro-2-cyano-ethyl)-4-methyl-benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-Chloro-2-cyano-ethyl)-4-methyl-benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-Chloro-2-cyano-ethyl)-4-methyl-benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.