3-((Trifluoromethyl)sulfonyl)aniline
TL;DR: 3-((Trifluoromethyl)sulfonyl)aniline (CAS 426-59-5) is a chemical compound with molecular formula C7H6F3NO2S and molecular weight 225.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(trifluoromethylsulfonyl)aniline
Also Known As: 3-(trifluoromethylsulfonyl)aniline, 3-Aminophenyl trifluoromethyl sulfone, 3-((trifluoromethyl)sulfonyl)aniline, 3-(trifluoromethanesulfonyl)aniline, 3-trifluoromethanesulfonylaniline
| Molecular Formula | C7H6F3NO2S |
|---|---|
| Molecular Weight | 225.01 g/mol |
| LogP | 1.5623 |
| Topological Polar Surface Area | 60.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 225.00714 |
| Heavy Atoms | 14 |
| Complexity | 438.4933 |
Chemical Identifiers
| CAS Number | 426-59-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)S(=O)(=O)C(F)(F)F)N |
Product Overview
3-((Trifluoromethyl)sulfonyl)aniline (CAS 426-59-5), with molecular formula C7H6F3NO2S and molecular weight 225.01 g/mol. IUPAC: 3-(trifluoromethylsulfonyl)aniline.
Chemical Property Profile of 3-((Trifluoromethyl)sulfonyl)aniline
Property Insights of 3-((Trifluoromethyl)sulfonyl)aniline
The XLogP value of 1.5623 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((Trifluoromethyl)sulfonyl)aniline. The TPSA of 60.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((Trifluoromethyl)sulfonyl)aniline. Following Lipinski's Rule of Five, 3-((Trifluoromethyl)sulfonyl)aniline has 1 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 3-((Trifluoromethyl)sulfonyl)aniline?
The CAS number of 3-((Trifluoromethyl)sulfonyl)aniline is 426-59-5.
What is the molecular formula of 3-((Trifluoromethyl)sulfonyl)aniline?
The molecular formula of 3-((Trifluoromethyl)sulfonyl)aniline is C7H6F3NO2S.
What is the molecular weight of 3-((Trifluoromethyl)sulfonyl)aniline?
The molecular weight of 3-((Trifluoromethyl)sulfonyl)aniline is 225.01 g/mol.
Where can I buy 3-((Trifluoromethyl)sulfonyl)aniline?
You can request a quote for 3-((Trifluoromethyl)sulfonyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((Trifluoromethyl)sulfonyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 3-((Trifluoromethyl)sulfonyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.