4-tert-butyl-N-(4-chloro-2-isonicotinoylphenyl)benzenesulfonamide
TL;DR: 4-tert-butyl-N-(4-chloro-2-isonicotinoylphenyl)benzenesulfonamide (CAS 698394-72-8) is a chemical compound with molecular formula C22H21ClN2O3S and molecular weight 428.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]benzenesulfonamide
Also Known As: 4-tert-butyl-N-(4-chloro-2-isonicotinoylphenyl)benzenesulfonamide, 4-tert-Butyl-N-[4chloro-2-(pyridine-4-carbonyl)-phenyl]-benzenesulfonamide, N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-tert-butyl-benzenesulfonamide, 4-tert-Butyl-N-[4-chloro-2-(pyridine-4-carbonyl)-phenyl]-benzenesulfonamide
| Molecular Formula | C22H21ClN2O3S |
|---|---|
| Molecular Weight | 428.10 g/mol |
| LogP | 5.0643 |
| Topological Polar Surface Area | 76.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 428.09613 |
| Heavy Atoms | 29 |
| Complexity | 1136.9249 |
Chemical Identifiers
| CAS Number | 698394-72-8 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=NC=C3 |
Product Overview
4-tert-butyl-N-(4-chloro-2-isonicotinoylphenyl)benzenesulfonamide (CAS 698394-72-8), with molecular formula C22H21ClN2O3S and molecular weight 428.10 g/mol. IUPAC: 4-tert-butyl-N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]benzenesulfonamide.
Chemical Property Profile of 4-tert-butyl-N-(4-chloro-2-isonicotinoylphenyl)benzenesulfonamide
Property Insights of 4-tert-butyl-N-(4-chloro-2-isonicotinoylphenyl)benzenesulfonamide
The XLogP value of 5.0643 indicates that 4-tert-butyl-N-(4-chloro-2-isonicotinoylphenyl)benzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-tert-butyl-N-(4-chloro-2-isonicotinoylphenyl)benzenesulfonamide. Following Lipinski's Rule of Five, 4-tert-butyl-N-(4-chloro-2-isonicotinoylphenyl)benzenesulfonamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-tert-butyl-N-(4-chloro-2-isonicotinoylphenyl)benzenesulfonamide?
The CAS number of 4-tert-butyl-N-(4-chloro-2-isonicotinoylphenyl)benzenesulfonamide is 698394-72-8.
What is the molecular formula of 4-tert-butyl-N-(4-chloro-2-isonicotinoylphenyl)benzenesulfonamide?
The molecular formula of 4-tert-butyl-N-(4-chloro-2-isonicotinoylphenyl)benzenesulfonamide is C22H21ClN2O3S.
What is the molecular weight of 4-tert-butyl-N-(4-chloro-2-isonicotinoylphenyl)benzenesulfonamide?
The molecular weight of 4-tert-butyl-N-(4-chloro-2-isonicotinoylphenyl)benzenesulfonamide is 428.10 g/mol.
Where can I buy 4-tert-butyl-N-(4-chloro-2-isonicotinoylphenyl)benzenesulfonamide?
You can request a quote for 4-tert-butyl-N-(4-chloro-2-isonicotinoylphenyl)benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-tert-butyl-N-(4-chloro-2-isonicotinoylphenyl)benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-tert-butyl-N-(4-chloro-2-isonicotinoylphenyl)benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.