N-(2-cyanoethyl)-4-(4-nitrophenyl)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
TL;DR: N-(2-cyanoethyl)-4-(4-nitrophenyl)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide (CAS 313496-42-3) is a chemical compound with molecular formula C21H24N4O4S and molecular weight 428.15 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-pyrrolidin-1-ylethyl)benzenesulfonamide
Also Known As: BAS 00439970, AE-848/32306040, N-(2-cyanoethyl)-4-(4-nitrophenyl)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide, 3-({[4-(4-nitrophenyl)phenyl]sulfonyl}(2-pyrrolidinylethyl)amino)propanenitril e, N-(2-cyanoethyl)-4'-nitro-N-(2-(pyrrolidin-1-yl)ethyl)-[1,1'-biphenyl]-4-sulfonamide
| Molecular Formula | C21H24N4O4S |
|---|---|
| Molecular Weight | 428.15 g/mol |
| LogP | 3.26198 |
| Topological Polar Surface Area | 107.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 428.15182 |
| Heavy Atoms | 30 |
| Complexity | 1008.46704 |
Chemical Identifiers
| CAS Number | 313496-42-3 |
|---|---|
| SMILES | C1CCN(C1)CCN(CCC#N)S(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
N-(2-cyanoethyl)-4-(4-nitrophenyl)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide (CAS 313496-42-3), with molecular formula C21H24N4O4S and molecular weight 428.15 g/mol. IUPAC: N-(2-cyanoethyl)-4-(4-nitrophenyl)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide.
Chemical Property Profile of N-(2-cyanoethyl)-4-(4-nitrophenyl)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
Property Insights of N-(2-cyanoethyl)-4-(4-nitrophenyl)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
The XLogP value of 3.26198 indicates that N-(2-cyanoethyl)-4-(4-nitrophenyl)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.55 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-cyanoethyl)-4-(4-nitrophenyl)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide. Following Lipinski's Rule of Five, N-(2-cyanoethyl)-4-(4-nitrophenyl)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide has 0 hydrogen bond donor(s) and 6 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)-4-(4-nitrophenyl)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The CAS number of N-(2-cyanoethyl)-4-(4-nitrophenyl)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide is 313496-42-3.
What is the molecular formula of N-(2-cyanoethyl)-4-(4-nitrophenyl)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The molecular formula of N-(2-cyanoethyl)-4-(4-nitrophenyl)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide is C21H24N4O4S.
What is the molecular weight of N-(2-cyanoethyl)-4-(4-nitrophenyl)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The molecular weight of N-(2-cyanoethyl)-4-(4-nitrophenyl)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide is 428.15 g/mol.
Where can I buy N-(2-cyanoethyl)-4-(4-nitrophenyl)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?
You can request a quote for N-(2-cyanoethyl)-4-(4-nitrophenyl)-N-(2-pyrrolidin-1-ylethyl)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)-4-(4-nitrophenyl)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-cyanoethyl)-4-(4-nitrophenyl)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.