4-chloro-N-(2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide
TL;DR: 4-chloro-N-(2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide (CAS 612043-64-8) is a chemical compound with molecular formula C11H13ClF3NO2S and molecular weight 315.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-(2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide
Also Known As: AS-871/41610701, 4-chloro-N-(2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide, 4-chloro-N-isobutyl-3-(trifluoromethyl)benzenesulfonamide
| Molecular Formula | C11H13ClF3NO2S |
|---|---|
| Molecular Weight | 315.03 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 54.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 315.03076 |
| Heavy Atoms | 19 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 612043-64-8 |
|---|---|
| SMILES | CC(C)CNS(=O)(=O)C1=CC(=C(C=C1)Cl)C(F)(F)F |
| InChIKey | AHIOWJXDEJXXFY-UHFFFAOYSA-N |
Product Overview
4-chloro-N-(2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide (CAS 612043-64-8), with molecular formula C11H13ClF3NO2S and molecular weight 315.03 g/mol. IUPAC: 4-chloro-N-(2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide.
Chemical Property Profile of 4-chloro-N-(2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide
Property Insights of 4-chloro-N-(2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide
The XLogP value of 3.7 indicates that 4-chloro-N-(2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.6 Ų, 4-chloro-N-(2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-chloro-N-(2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide has 1 hydrogen bond donor(s) and 6 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 4-chloro-N-(2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide?
The CAS number of 4-chloro-N-(2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide is 612043-64-8.
What is the molecular formula of 4-chloro-N-(2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide?
The molecular formula of 4-chloro-N-(2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide is C11H13ClF3NO2S.
What is the molecular weight of 4-chloro-N-(2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide?
The molecular weight of 4-chloro-N-(2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide is 315.03 g/mol.
Where can I buy 4-chloro-N-(2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide?
You can request a quote for 4-chloro-N-(2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-N-(2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-N-(2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.