N-isobutyl-2-(trifluoromethyl)benzenesulfonamide
TL;DR: N-isobutyl-2-(trifluoromethyl)benzenesulfonamide (CAS 613658-17-6) is a chemical compound with molecular formula C11H14F3NO2S and molecular weight 281.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-methylpropyl)-2-(trifluoromethyl)benzenesulfonamide
Also Known As: N-isobutyl-2-(trifluoromethyl)benzenesulfonamide, N-(2-methylpropyl)-2-(trifluoromethyl)benzenesulfonamide, AF-399/41585908, (2-methylpropyl){[2-(trifluoromethyl)phenyl]sulfonyl}amine
| Molecular Formula | C11H14F3NO2S |
|---|---|
| Molecular Weight | 281.07 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 54.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 281.06973 |
| Heavy Atoms | 18 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 613658-17-6 |
|---|---|
| SMILES | CC(C)CNS(=O)(=O)C1=CC=CC=C1C(F)(F)F |
| InChIKey | WIESKLSHUFCWRA-UHFFFAOYSA-N |
Product Overview
N-isobutyl-2-(trifluoromethyl)benzenesulfonamide (CAS 613658-17-6), with molecular formula C11H14F3NO2S and molecular weight 281.07 g/mol. IUPAC: N-(2-methylpropyl)-2-(trifluoromethyl)benzenesulfonamide.
Chemical Property Profile of N-isobutyl-2-(trifluoromethyl)benzenesulfonamide
Property Insights of N-isobutyl-2-(trifluoromethyl)benzenesulfonamide
The XLogP value of 3.1 indicates that N-isobutyl-2-(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, N-isobutyl-2-(trifluoromethyl)benzenesulfonamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-isobutyl-2-(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 N-isobutyl-2-(trifluoromethyl)benzenesulfonamide?
The CAS number of N-isobutyl-2-(trifluoromethyl)benzenesulfonamide is 613658-17-6.
What is the molecular formula of N-isobutyl-2-(trifluoromethyl)benzenesulfonamide?
The molecular formula of N-isobutyl-2-(trifluoromethyl)benzenesulfonamide is C11H14F3NO2S.
What is the molecular weight of N-isobutyl-2-(trifluoromethyl)benzenesulfonamide?
The molecular weight of N-isobutyl-2-(trifluoromethyl)benzenesulfonamide is 281.07 g/mol.
Where can I buy N-isobutyl-2-(trifluoromethyl)benzenesulfonamide?
You can request a quote for N-isobutyl-2-(trifluoromethyl)benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-isobutyl-2-(trifluoromethyl)benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-isobutyl-2-(trifluoromethyl)benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.