N-(2-Cyanoethyl)-N-(4-formyl-3-methylphenyl)benzenesulfonamide
TL;DR: N-(2-Cyanoethyl)-N-(4-formyl-3-methylphenyl)benzenesulfonamide (CAS 565425-30-1) is a chemical compound with molecular formula C17H16N2O3S and molecular weight 328.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-cyanoethyl)-N-(4-formyl-3-methylphenyl)benzenesulfonamide
Also Known As: 3-Cyanobenzenesulfonyl chloride, NCI60_012630, N-(2-Cyanoethyl)-N-(4-formyl-3-methylphenyl)benzenesulfonamide, Benzenesulfonamide, N-(2-cyanoethyl)-N-(4-formyl-3-methylphenyl)-, N-(2-cyanoethyl)-N-(4-formyl-3-methyl-phenyl)benzenesulfonamide
| Molecular Formula | C17H16N2O3S |
|---|---|
| Molecular Weight | 328.09 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 86.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 328.08817 |
| Heavy Atoms | 23 |
| Complexity | 540.0 |
Chemical Identifiers
| CAS Number | 565425-30-1 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)N(CCC#N)S(=O)(=O)C2=CC=CC=C2)C=O |
| InChIKey | CUUKTNIAFXSFOL-UHFFFAOYSA-N |
Product Overview
N-(2-Cyanoethyl)-N-(4-formyl-3-methylphenyl)benzenesulfonamide (CAS 565425-30-1), with molecular formula C17H16N2O3S and molecular weight 328.09 g/mol. IUPAC: N-(2-cyanoethyl)-N-(4-formyl-3-methylphenyl)benzenesulfonamide.
Chemical Property Profile of N-(2-Cyanoethyl)-N-(4-formyl-3-methylphenyl)benzenesulfonamide
Property Insights of N-(2-Cyanoethyl)-N-(4-formyl-3-methylphenyl)benzenesulfonamide
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-Cyanoethyl)-N-(4-formyl-3-methylphenyl)benzenesulfonamide. The TPSA of 86.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-Cyanoethyl)-N-(4-formyl-3-methylphenyl)benzenesulfonamide. Following Lipinski's Rule of Five, N-(2-Cyanoethyl)-N-(4-formyl-3-methylphenyl)benzenesulfonamide has 0 hydrogen bond donor(s) and 5 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-Cyanoethyl)-N-(4-formyl-3-methylphenyl)benzenesulfonamide?
The CAS number of N-(2-Cyanoethyl)-N-(4-formyl-3-methylphenyl)benzenesulfonamide is 565425-30-1.
What is the molecular formula of N-(2-Cyanoethyl)-N-(4-formyl-3-methylphenyl)benzenesulfonamide?
The molecular formula of N-(2-Cyanoethyl)-N-(4-formyl-3-methylphenyl)benzenesulfonamide is C17H16N2O3S.
What is the molecular weight of N-(2-Cyanoethyl)-N-(4-formyl-3-methylphenyl)benzenesulfonamide?
The molecular weight of N-(2-Cyanoethyl)-N-(4-formyl-3-methylphenyl)benzenesulfonamide is 328.09 g/mol.
Where can I buy N-(2-Cyanoethyl)-N-(4-formyl-3-methylphenyl)benzenesulfonamide?
You can request a quote for N-(2-Cyanoethyl)-N-(4-formyl-3-methylphenyl)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-Cyanoethyl)-N-(4-formyl-3-methylphenyl)benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-Cyanoethyl)-N-(4-formyl-3-methylphenyl)benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.