Mesulfone
TL;DR: Mesulfone (CAS 3572-86-9) is a chemical compound with molecular formula C8H7Cl4NO2S2 and molecular weight 352.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chlorophenyl)-N-(trichloromethylsulfanyl)methanesulfonamide
Also Known As: Mesulfon (e), MESULFONE, 4-15-00-00017 (Beilstein Handbook Reference), N-Trichloromethylthio-4-chloroanilide of methanesulfonic acid, N-(4-Chlorophenyl)-N-((trichloromethyl)thio)methanesulfonamide
| Molecular Formula | C8H7Cl4NO2S2 |
|---|---|
| Molecular Weight | 352.87 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 352.86722 |
| Heavy Atoms | 17 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 3572-86-9 |
|---|---|
| SMILES | CS(=O)(=O)N(C1=CC=C(C=C1)Cl)SC(Cl)(Cl)Cl |
| InChIKey | IPCRTPZFAGFLMA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Mesulfone (CAS 3572-86-9), with molecular formula C8H7Cl4NO2S2 and molecular weight 352.87 g/mol. IUPAC: N-(4-chlorophenyl)-N-(trichloromethylsulfanyl)methanesulfonamide.
Chemical Property Profile of Mesulfone
Property Insights of Mesulfone
The XLogP value of 4.1 indicates that Mesulfone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Mesulfone. Following Lipinski's Rule of Five, Mesulfone has 0 hydrogen bond donor(s) and 4 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 Mesulfone?
The CAS number of Mesulfone is 3572-86-9.
What is the molecular formula of Mesulfone?
The molecular formula of Mesulfone is C8H7Cl4NO2S2.
What is the molecular weight of Mesulfone?
The molecular weight of Mesulfone is 352.87 g/mol.
Where can I buy Mesulfone?
You can request a quote for Mesulfone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mesulfone?
Yes, KEHONG BIO provides custom synthesis services for Mesulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.