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N-[4-(cyanomethyl)phenyl]-4-ethoxybenzenesulfonamide
TL;DR: N-[4-(cyanomethyl)phenyl]-4-ethoxybenzenesulfonamide (CAS 694488-52-3) is a chemical compound with molecular formula C16H16N2O3S and molecular weight 316.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(cyanomethyl)phenyl]-4-ethoxybenzenesulfonamide
Also Known As: N-[4-(cyanomethyl)phenyl]-4-ethoxybenzenesulfonamide, AO-081/42096968
| Molecular Formula | C16H16N2O3S |
|---|---|
| Molecular Weight | 316.09 g/mol |
| LogP | 2.95218 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 316.08817 |
| Heavy Atoms | 22 |
| Complexity | 760.5334 |
Chemical Identifiers
| CAS Number | 694488-52-3 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)CC#N |
Product Overview
N-[4-(cyanomethyl)phenyl]-4-ethoxybenzenesulfonamide (CAS 694488-52-3), with molecular formula C16H16N2O3S and molecular weight 316.09 g/mol. IUPAC: N-[4-(cyanomethyl)phenyl]-4-ethoxybenzenesulfonamide.
Chemical Property Profile of N-[4-(cyanomethyl)phenyl]-4-ethoxybenzenesulfonamide
Property Insights of N-[4-(cyanomethyl)phenyl]-4-ethoxybenzenesulfonamide
The XLogP value of 2.95218 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[4-(cyanomethyl)phenyl]-4-ethoxybenzenesulfonamide. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[4-(cyanomethyl)phenyl]-4-ethoxybenzenesulfonamide. Following Lipinski's Rule of Five, N-[4-(cyanomethyl)phenyl]-4-ethoxybenzenesulfonamide 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-[4-(cyanomethyl)phenyl]-4-ethoxybenzenesulfonamide?
The CAS number of N-[4-(cyanomethyl)phenyl]-4-ethoxybenzenesulfonamide is 694488-52-3.
What is the molecular formula of N-[4-(cyanomethyl)phenyl]-4-ethoxybenzenesulfonamide?
The molecular formula of N-[4-(cyanomethyl)phenyl]-4-ethoxybenzenesulfonamide is C16H16N2O3S.
What is the molecular weight of N-[4-(cyanomethyl)phenyl]-4-ethoxybenzenesulfonamide?
The molecular weight of N-[4-(cyanomethyl)phenyl]-4-ethoxybenzenesulfonamide is 316.09 g/mol.
Where can I buy N-[4-(cyanomethyl)phenyl]-4-ethoxybenzenesulfonamide?
You can request a quote for N-[4-(cyanomethyl)phenyl]-4-ethoxybenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[4-(cyanomethyl)phenyl]-4-ethoxybenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-[4-(cyanomethyl)phenyl]-4-ethoxybenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.