3-chloro-4-fluoro-N,N-dimethylbenzenesulfonamide
TL;DR: 3-chloro-4-fluoro-N,N-dimethylbenzenesulfonamide (CAS 613657-56-0) is a chemical compound with molecular formula C8H9ClFNO2S and molecular weight 237.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-4-fluoro-N,N-dimethylbenzenesulfonamide
Also Known As: 3-chloro-4-fluoro-N,N-dimethylbenzenesulfonamide, [(3-chloro-4-fluorophenyl)sulfonyl]dimethylamine
| Molecular Formula | C8H9ClFNO2S |
|---|---|
| Molecular Weight | 237.00 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.00266 |
| Heavy Atoms | 14 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 613657-56-0 |
|---|---|
| SMILES | CN(C)S(=O)(=O)C1=CC(=C(C=C1)F)Cl |
| InChIKey | ZXYMYAGGEHXBMR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-chloro-4-fluoro-N,N-dimethylbenzenesulfonamide (CAS 613657-56-0), with molecular formula C8H9ClFNO2S and molecular weight 237.00 g/mol. IUPAC: 3-chloro-4-fluoro-N,N-dimethylbenzenesulfonamide.
Chemical Property Profile of 3-chloro-4-fluoro-N,N-dimethylbenzenesulfonamide
Property Insights of 3-chloro-4-fluoro-N,N-dimethylbenzenesulfonamide
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-chloro-4-fluoro-N,N-dimethylbenzenesulfonamide. With a topological polar surface area (TPSA) of 45.8 Ų, 3-chloro-4-fluoro-N,N-dimethylbenzenesulfonamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-chloro-4-fluoro-N,N-dimethylbenzenesulfonamide 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 3-chloro-4-fluoro-N,N-dimethylbenzenesulfonamide?
The CAS number of 3-chloro-4-fluoro-N,N-dimethylbenzenesulfonamide is 613657-56-0.
What is the molecular formula of 3-chloro-4-fluoro-N,N-dimethylbenzenesulfonamide?
The molecular formula of 3-chloro-4-fluoro-N,N-dimethylbenzenesulfonamide is C8H9ClFNO2S.
What is the molecular weight of 3-chloro-4-fluoro-N,N-dimethylbenzenesulfonamide?
The molecular weight of 3-chloro-4-fluoro-N,N-dimethylbenzenesulfonamide is 237.00 g/mol.
Where can I buy 3-chloro-4-fluoro-N,N-dimethylbenzenesulfonamide?
You can request a quote for 3-chloro-4-fluoro-N,N-dimethylbenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-chloro-4-fluoro-N,N-dimethylbenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-4-fluoro-N,N-dimethylbenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.