n,n,4-Trichlorobenzenesulfonamide
TL;DR: n,n,4-Trichlorobenzenesulfonamide (CAS 2072-68-6) is a chemical compound with molecular formula C6H4Cl3NO2S and molecular weight 258.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N,4-trichlorobenzenesulfonamide
Also Known As: n,n,4-trichlorobenzenesulfonamide, Benzenesulfonamide, N,N,4-trichloro-, 4,N,N-Trichlorobenzenesulfonamide, N,N,4-Trichlorobenzene-1-sulfonamide, N,N-dichloro-4-chlorobenzenesulfonamide
| Molecular Formula | C6H4Cl3NO2S |
|---|---|
| Molecular Weight | 258.90 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 258.90283 |
| Heavy Atoms | 13 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 2072-68-6 |
|---|---|
| SMILES | C1=CC(=CC=C1S(=O)(=O)N(Cl)Cl)Cl |
| InChIKey | YQFIHIHRQSCFMO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
n,n,4-Trichlorobenzenesulfonamide (CAS 2072-68-6), with molecular formula C6H4Cl3NO2S and molecular weight 258.90 g/mol. IUPAC: N,N,4-trichlorobenzenesulfonamide.
Chemical Property Profile of n,n,4-Trichlorobenzenesulfonamide
Property Insights of n,n,4-Trichlorobenzenesulfonamide
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for n,n,4-Trichlorobenzenesulfonamide. With a topological polar surface area (TPSA) of 45.8 Ų, n,n,4-Trichlorobenzenesulfonamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, n,n,4-Trichlorobenzenesulfonamide 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 n,n,4-Trichlorobenzenesulfonamide?
The CAS number of n,n,4-Trichlorobenzenesulfonamide is 2072-68-6.
What is the molecular formula of n,n,4-Trichlorobenzenesulfonamide?
The molecular formula of n,n,4-Trichlorobenzenesulfonamide is C6H4Cl3NO2S.
What is the molecular weight of n,n,4-Trichlorobenzenesulfonamide?
The molecular weight of n,n,4-Trichlorobenzenesulfonamide is 258.90 g/mol.
Where can I buy n,n,4-Trichlorobenzenesulfonamide?
You can request a quote for n,n,4-Trichlorobenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n,n,4-Trichlorobenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for n,n,4-Trichlorobenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.