![4-chloro-N-[2-(3,4-dihydroisoquinolin-1-yl)phenyl]benzenesulfonamide structure](/static/products/2127/212774-71-5.webp)
4-chloro-N-[2-(3,4-dihydroisoquinolin-1-yl)phenyl]benzenesulfonamide
TL;DR: 4-chloro-N-[2-(3,4-dihydroisoquinolin-1-yl)phenyl]benzenesulfonamide (CAS 212774-71-5) is a chemical compound with molecular formula C21H17ClN2O2S and molecular weight 396.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-[2-(3,4-dihydroisoquinolin-1-yl)phenyl]benzenesulfonamide
Also Known As: BAS 00327249, 4-chloro-N-[2-(3,4-dihydroisoquinolin-1-yl)phenyl]benzenesulfonamide, BRD-K71138420-001-01-7, [(4-chlorophenyl)sulfonyl](2-(3,4-dihydroisoquinolyl)phenyl)amine, 4-chloro-N-(2-(3,4-dihydroisoquinolin-1-yl)phenyl)benzenesulfonamide
| Molecular Formula | C21H17ClN2O2S |
|---|---|
| Molecular Weight | 396.07 g/mol |
| LogP | 4.5343 |
| Topological Polar Surface Area | 58.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 396.06992 |
| Heavy Atoms | 27 |
| Complexity | 1122.9283 |
Chemical Identifiers
| CAS Number | 212774-71-5 |
|---|---|
| SMILES | C1CN=C(C2=CC=CC=C21)C3=CC=CC=C3NS(=O)(=O)C4=CC=C(C=C4)Cl |
Product Overview
4-chloro-N-[2-(3,4-dihydroisoquinolin-1-yl)phenyl]benzenesulfonamide (CAS 212774-71-5), with molecular formula C21H17ClN2O2S and molecular weight 396.07 g/mol. IUPAC: 4-chloro-N-[2-(3,4-dihydroisoquinolin-1-yl)phenyl]benzenesulfonamide.
Chemical Property Profile of 4-chloro-N-[2-(3,4-dihydroisoquinolin-1-yl)phenyl]benzenesulfonamide
Property Insights of 4-chloro-N-[2-(3,4-dihydroisoquinolin-1-yl)phenyl]benzenesulfonamide
The XLogP value of 4.5343 indicates that 4-chloro-N-[2-(3,4-dihydroisoquinolin-1-yl)phenyl]benzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.53 Ų, 4-chloro-N-[2-(3,4-dihydroisoquinolin-1-yl)phenyl]benzenesulfonamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-chloro-N-[2-(3,4-dihydroisoquinolin-1-yl)phenyl]benzenesulfonamide has 1 hydrogen bond donor(s) and 3 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 4-chloro-N-[2-(3,4-dihydroisoquinolin-1-yl)phenyl]benzenesulfonamide?
The CAS number of 4-chloro-N-[2-(3,4-dihydroisoquinolin-1-yl)phenyl]benzenesulfonamide is 212774-71-5.
What is the molecular formula of 4-chloro-N-[2-(3,4-dihydroisoquinolin-1-yl)phenyl]benzenesulfonamide?
The molecular formula of 4-chloro-N-[2-(3,4-dihydroisoquinolin-1-yl)phenyl]benzenesulfonamide is C21H17ClN2O2S.
What is the molecular weight of 4-chloro-N-[2-(3,4-dihydroisoquinolin-1-yl)phenyl]benzenesulfonamide?
The molecular weight of 4-chloro-N-[2-(3,4-dihydroisoquinolin-1-yl)phenyl]benzenesulfonamide is 396.07 g/mol.
Where can I buy 4-chloro-N-[2-(3,4-dihydroisoquinolin-1-yl)phenyl]benzenesulfonamide?
You can request a quote for 4-chloro-N-[2-(3,4-dihydroisoquinolin-1-yl)phenyl]benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-N-[2-(3,4-dihydroisoquinolin-1-yl)phenyl]benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-N-[2-(3,4-dihydroisoquinolin-1-yl)phenyl]benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.