N-(4-Chloro-benzyl)-benzenesulfonamide
TL;DR: N-(4-Chloro-benzyl)-benzenesulfonamide (CAS 6098-86-8) is a chemical compound with molecular formula C13H12ClNO2S and molecular weight 281.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-chlorophenyl)methyl]benzenesulfonamide
Also Known As: N-[(4-chlorophenyl)methyl]benzenesulfonamide, N-(4-chlorobenzyl)benzenesulfonamide, Maybridge1_001653, N-(4-Chloro-benzyl)-benzenesulfonamide, Benzenesulfonamide, N-[(4-chlorophenyl)methyl]-
| Molecular Formula | C13H12ClNO2S |
|---|---|
| Molecular Weight | 281.03 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 54.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 281.02774 |
| Heavy Atoms | 18 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 6098-86-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)Cl |
| InChIKey | TXHKSNIAAZGMGJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(4-Chloro-benzyl)-benzenesulfonamide (CAS 6098-86-8), with molecular formula C13H12ClNO2S and molecular weight 281.03 g/mol. IUPAC: N-[(4-chlorophenyl)methyl]benzenesulfonamide.
Chemical Property Profile of N-(4-Chloro-benzyl)-benzenesulfonamide
Property Insights of N-(4-Chloro-benzyl)-benzenesulfonamide
The XLogP value of 3.0 indicates that N-(4-Chloro-benzyl)-benzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.6 Ų, N-(4-Chloro-benzyl)-benzenesulfonamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-Chloro-benzyl)-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 N-(4-Chloro-benzyl)-benzenesulfonamide?
The CAS number of N-(4-Chloro-benzyl)-benzenesulfonamide is 6098-86-8.
What is the molecular formula of N-(4-Chloro-benzyl)-benzenesulfonamide?
The molecular formula of N-(4-Chloro-benzyl)-benzenesulfonamide is C13H12ClNO2S.
What is the molecular weight of N-(4-Chloro-benzyl)-benzenesulfonamide?
The molecular weight of N-(4-Chloro-benzyl)-benzenesulfonamide is 281.03 g/mol.
Where can I buy N-(4-Chloro-benzyl)-benzenesulfonamide?
You can request a quote for N-(4-Chloro-benzyl)-benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-Chloro-benzyl)-benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-Chloro-benzyl)-benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.