![3-({[4-(4-Nitrophenyl)phenyl]sulfonyl}(2-phenylethyl)amino)propanenitrile structure](/static/products/3134/313496-44-5.webp)
3-({[4-(4-Nitrophenyl)phenyl]sulfonyl}(2-phenylethyl)amino)propanenitrile
TL;DR: 3-({[4-(4-Nitrophenyl)phenyl]sulfonyl}(2-phenylethyl)amino)propanenitrile (CAS 313496-44-5) is a chemical compound with molecular formula C23H21N3O4S and molecular weight 435.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-cyanoethyl)-4-(4-nitrophenyl)-N-(2-phenylethyl)benzenesulfonamide
Also Known As: BAS 00347546, 4'-Nitro-biphenyl-4-sulfonic acid (2-cyano-ethyl)-phenethyl-amide, N-(2-cyanoethyl)-4'-nitro-N-(2-phenylethyl)biphenyl-4-sulfonamide, N-(2-cyanoethyl)-4-(4-nitrophenyl)-N-phenethylbenzenesulfonamide, 3-({[4-(4-nitrophenyl)phenyl]sulfonyl}(2-phenylethyl)amino)propanenitrile
| Molecular Formula | C23H21N3O4S |
|---|---|
| Molecular Weight | 435.13 g/mol |
| LogP | 4.40888 |
| Topological Polar Surface Area | 104.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 435.12527 |
| Heavy Atoms | 31 |
| Complexity | 1170.2462 |
Chemical Identifiers
| CAS Number | 313496-44-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCN(CCC#N)S(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
3-({[4-(4-Nitrophenyl)phenyl]sulfonyl}(2-phenylethyl)amino)propanenitrile (CAS 313496-44-5), with molecular formula C23H21N3O4S and molecular weight 435.13 g/mol. IUPAC: N-(2-cyanoethyl)-4-(4-nitrophenyl)-N-(2-phenylethyl)benzenesulfonamide.
Chemical Property Profile of 3-({[4-(4-Nitrophenyl)phenyl]sulfonyl}(2-phenylethyl)amino)propanenitrile
Property Insights of 3-({[4-(4-Nitrophenyl)phenyl]sulfonyl}(2-phenylethyl)amino)propanenitrile
The XLogP value of 4.40888 indicates that 3-({[4-(4-Nitrophenyl)phenyl]sulfonyl}(2-phenylethyl)amino)propanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-({[4-(4-Nitrophenyl)phenyl]sulfonyl}(2-phenylethyl)amino)propanenitrile. Following Lipinski's Rule of Five, 3-({[4-(4-Nitrophenyl)phenyl]sulfonyl}(2-phenylethyl)amino)propanenitrile 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 3-({[4-(4-Nitrophenyl)phenyl]sulfonyl}(2-phenylethyl)amino)propanenitrile?
The CAS number of 3-({[4-(4-Nitrophenyl)phenyl]sulfonyl}(2-phenylethyl)amino)propanenitrile is 313496-44-5.
What is the molecular formula of 3-({[4-(4-Nitrophenyl)phenyl]sulfonyl}(2-phenylethyl)amino)propanenitrile?
The molecular formula of 3-({[4-(4-Nitrophenyl)phenyl]sulfonyl}(2-phenylethyl)amino)propanenitrile is C23H21N3O4S.
What is the molecular weight of 3-({[4-(4-Nitrophenyl)phenyl]sulfonyl}(2-phenylethyl)amino)propanenitrile?
The molecular weight of 3-({[4-(4-Nitrophenyl)phenyl]sulfonyl}(2-phenylethyl)amino)propanenitrile is 435.13 g/mol.
Where can I buy 3-({[4-(4-Nitrophenyl)phenyl]sulfonyl}(2-phenylethyl)amino)propanenitrile?
You can request a quote for 3-({[4-(4-Nitrophenyl)phenyl]sulfonyl}(2-phenylethyl)amino)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-({[4-(4-Nitrophenyl)phenyl]sulfonyl}(2-phenylethyl)amino)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-({[4-(4-Nitrophenyl)phenyl]sulfonyl}(2-phenylethyl)amino)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.