Benzenesulfonanilide, 4,4'-dichloro-N-methyl-
TL;DR: Benzenesulfonanilide, 4,4'-dichloro-N-methyl- (CAS 631-93-6) is a chemical compound with molecular formula C13H11Cl2NO2S and molecular weight 314.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-(4-chlorophenyl)-N-methylbenzenesulfonamide
Also Known As: Benzenesulfonanilide, 4,4'-dichloro-N-methyl-, 4,4'-Dichloro-N-methylbenzenesulfoanilide, 4-chloro-n-(4-chlorophenyl)-n-methylbenzenesulfonamide, 4-Chloro-N- -N-methylbenzenesulfonamide, 4-12-00-01234 (Beilstein Handbook Reference)
| Molecular Formula | C13H11Cl2NO2S |
|---|---|
| Molecular Weight | 314.99 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.98877 |
| Heavy Atoms | 19 |
| Complexity | 380.0 |
Chemical Identifiers
| CAS Number | 631-93-6 |
|---|---|
| SMILES | CN(C1=CC=C(C=C1)Cl)S(=O)(=O)C2=CC=C(C=C2)Cl |
| InChIKey | UXBUOQYOERKCRY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenesulfonanilide, 4,4'-dichloro-N-methyl- (CAS 631-93-6), with molecular formula C13H11Cl2NO2S and molecular weight 314.99 g/mol. IUPAC: 4-chloro-N-(4-chlorophenyl)-N-methylbenzenesulfonamide.
Chemical Property Profile of Benzenesulfonanilide, 4,4'-dichloro-N-methyl-
Property Insights of Benzenesulfonanilide, 4,4'-dichloro-N-methyl-
The XLogP value of 3.9 indicates that Benzenesulfonanilide, 4,4'-dichloro-N-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, Benzenesulfonanilide, 4,4'-dichloro-N-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenesulfonanilide, 4,4'-dichloro-N-methyl- has 0 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 Benzenesulfonanilide, 4,4'-dichloro-N-methyl-?
The CAS number of Benzenesulfonanilide, 4,4'-dichloro-N-methyl- is 631-93-6.
What is the molecular formula of Benzenesulfonanilide, 4,4'-dichloro-N-methyl-?
The molecular formula of Benzenesulfonanilide, 4,4'-dichloro-N-methyl- is C13H11Cl2NO2S.
What is the molecular weight of Benzenesulfonanilide, 4,4'-dichloro-N-methyl-?
The molecular weight of Benzenesulfonanilide, 4,4'-dichloro-N-methyl- is 314.99 g/mol.
Where can I buy Benzenesulfonanilide, 4,4'-dichloro-N-methyl-?
You can request a quote for Benzenesulfonanilide, 4,4'-dichloro-N-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonanilide, 4,4'-dichloro-N-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonanilide, 4,4'-dichloro-N-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.