3-chloro-4-fluoro-N-phenethylbenzenesulfonamide
TL;DR: 3-chloro-4-fluoro-N-phenethylbenzenesulfonamide (CAS 613657-28-6) is a chemical compound with molecular formula C14H13ClFNO2S and molecular weight 313.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-4-fluoro-N-(2-phenylethyl)benzenesulfonamide
Also Known As: 3-chloro-4-fluoro-N-phenethylbenzenesulfonamide, 3-chloro-4-fluoro-N-(2-phenylethyl)benzene-1-sulfonamide, F3394-0096, N-phenethyl(3-chloro-4-fluorophenylsulfonyl)amine, 3-chloro-4-fluoro-N-(2-phenylethyl)benzenesulfonamide
| Molecular Formula | C14H13ClFNO2S |
|---|---|
| Molecular Weight | 313.03 g/mol |
| LogP | 3.0001 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.03397 |
| Heavy Atoms | 20 |
| Complexity | 689.575 |
Chemical Identifiers
| CAS Number | 613657-28-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCNS(=O)(=O)C2=CC(=C(C=C2)F)Cl |
Product Overview
3-chloro-4-fluoro-N-phenethylbenzenesulfonamide (CAS 613657-28-6), with molecular formula C14H13ClFNO2S and molecular weight 313.03 g/mol. IUPAC: 3-chloro-4-fluoro-N-(2-phenylethyl)benzenesulfonamide.
Chemical Property Profile of 3-chloro-4-fluoro-N-phenethylbenzenesulfonamide
Property Insights of 3-chloro-4-fluoro-N-phenethylbenzenesulfonamide
The XLogP value of 3.0001 indicates that 3-chloro-4-fluoro-N-phenethylbenzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.17 Ų, 3-chloro-4-fluoro-N-phenethylbenzenesulfonamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-chloro-4-fluoro-N-phenethylbenzenesulfonamide has 1 hydrogen bond donor(s) and 2 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-phenethylbenzenesulfonamide?
The CAS number of 3-chloro-4-fluoro-N-phenethylbenzenesulfonamide is 613657-28-6.
What is the molecular formula of 3-chloro-4-fluoro-N-phenethylbenzenesulfonamide?
The molecular formula of 3-chloro-4-fluoro-N-phenethylbenzenesulfonamide is C14H13ClFNO2S.
What is the molecular weight of 3-chloro-4-fluoro-N-phenethylbenzenesulfonamide?
The molecular weight of 3-chloro-4-fluoro-N-phenethylbenzenesulfonamide is 313.03 g/mol.
Where can I buy 3-chloro-4-fluoro-N-phenethylbenzenesulfonamide?
You can request a quote for 3-chloro-4-fluoro-N-phenethylbenzenesulfonamide 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-phenethylbenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-4-fluoro-N-phenethylbenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.