2-Chloro-5-(trifluoromethylsulfonyl)aniline
TL;DR: 2-Chloro-5-(trifluoromethylsulfonyl)aniline (CAS 779-87-3) is a chemical compound with molecular formula C7H5ClF3NO2S and molecular weight 258.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-5-(trifluoromethylsulfonyl)aniline
Also Known As: 2-chloro-5-(trifluoromethylsulfonyl)aniline, 2-chloro-5-trifluoromethanesulfonylaniline, 2-Chloro-5-((trifluoromethyl)sulfonyl)aniline, 2-CHLORO-5- ANILINE, 2-Chloro-5-(trifluoromethylsulphonyl)aniline
| Molecular Formula | C7H5ClF3NO2S |
|---|---|
| Molecular Weight | 258.97 g/mol |
| LogP | 2.2157 |
| Topological Polar Surface Area | 60.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 258.96817 |
| Heavy Atoms | 15 |
| Complexity | 483.49893 |
Chemical Identifiers
| CAS Number | 779-87-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1S(=O)(=O)C(F)(F)F)N)Cl |
Product Overview
2-Chloro-5-(trifluoromethylsulfonyl)aniline (CAS 779-87-3), with molecular formula C7H5ClF3NO2S and molecular weight 258.97 g/mol. IUPAC: 2-chloro-5-(trifluoromethylsulfonyl)aniline.
Chemical Property Profile of 2-Chloro-5-(trifluoromethylsulfonyl)aniline
Property Insights of 2-Chloro-5-(trifluoromethylsulfonyl)aniline
The XLogP value of 2.2157 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-5-(trifluoromethylsulfonyl)aniline. The TPSA of 60.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-5-(trifluoromethylsulfonyl)aniline. Following Lipinski's Rule of Five, 2-Chloro-5-(trifluoromethylsulfonyl)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 2-Chloro-5-(trifluoromethylsulfonyl)aniline?
The CAS number of 2-Chloro-5-(trifluoromethylsulfonyl)aniline is 779-87-3.
What is the molecular formula of 2-Chloro-5-(trifluoromethylsulfonyl)aniline?
The molecular formula of 2-Chloro-5-(trifluoromethylsulfonyl)aniline is C7H5ClF3NO2S.
What is the molecular weight of 2-Chloro-5-(trifluoromethylsulfonyl)aniline?
The molecular weight of 2-Chloro-5-(trifluoromethylsulfonyl)aniline is 258.97 g/mol.
Where can I buy 2-Chloro-5-(trifluoromethylsulfonyl)aniline?
You can request a quote for 2-Chloro-5-(trifluoromethylsulfonyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-5-(trifluoromethylsulfonyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-5-(trifluoromethylsulfonyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.