![1-[(4-Chlorophenyl)sulfonyl]-2-nitro-4-(trifluoromethyl)benzene structure](/static/products/2174/217490-08-9.webp)
1-[(4-Chlorophenyl)sulfonyl]-2-nitro-4-(trifluoromethyl)benzene
TL;DR: 1-[(4-Chlorophenyl)sulfonyl]-2-nitro-4-(trifluoromethyl)benzene (CAS 217490-08-9) is a chemical compound with molecular formula C13H7ClF3NO4S and molecular weight 364.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)sulfonyl-2-nitro-4-(trifluoromethyl)benzene
Also Known As: Compound 1 analog 6, J3.227.013A, 1-[(4-chlorophenyl)sulfonyl]-2-nitro-4-(trifluoromethyl)benzene, 1-[(4-chlorobenzene)sulfonyl]-2-nitro-4-(trifluoromethyl)benzene, 1-(4-chlorobenzenesulfonyl)-2-nitro-4-(trifluoromethyl)benzene
| Molecular Formula | C13H7ClF3NO4S |
|---|---|
| Molecular Weight | 364.97 g/mol |
| LogP | 4.0998 |
| Topological Polar Surface Area | 77.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 364.97363 |
| Heavy Atoms | 23 |
| Complexity | 863.7786 |
Chemical Identifiers
| CAS Number | 217490-08-9 |
|---|---|
| SMILES | C1=CC(=CC=C1S(=O)(=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])Cl |
Product Overview
1-[(4-Chlorophenyl)sulfonyl]-2-nitro-4-(trifluoromethyl)benzene (CAS 217490-08-9), with molecular formula C13H7ClF3NO4S and molecular weight 364.97 g/mol. IUPAC: 1-(4-chlorophenyl)sulfonyl-2-nitro-4-(trifluoromethyl)benzene.
Chemical Property Profile of 1-[(4-Chlorophenyl)sulfonyl]-2-nitro-4-(trifluoromethyl)benzene
Property Insights of 1-[(4-Chlorophenyl)sulfonyl]-2-nitro-4-(trifluoromethyl)benzene
The XLogP value of 4.0998 indicates that 1-[(4-Chlorophenyl)sulfonyl]-2-nitro-4-(trifluoromethyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(4-Chlorophenyl)sulfonyl]-2-nitro-4-(trifluoromethyl)benzene. Following Lipinski's Rule of Five, 1-[(4-Chlorophenyl)sulfonyl]-2-nitro-4-(trifluoromethyl)benzene has 0 hydrogen bond donor(s) and 4 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 1-[(4-Chlorophenyl)sulfonyl]-2-nitro-4-(trifluoromethyl)benzene?
The CAS number of 1-[(4-Chlorophenyl)sulfonyl]-2-nitro-4-(trifluoromethyl)benzene is 217490-08-9.
What is the molecular formula of 1-[(4-Chlorophenyl)sulfonyl]-2-nitro-4-(trifluoromethyl)benzene?
The molecular formula of 1-[(4-Chlorophenyl)sulfonyl]-2-nitro-4-(trifluoromethyl)benzene is C13H7ClF3NO4S.
What is the molecular weight of 1-[(4-Chlorophenyl)sulfonyl]-2-nitro-4-(trifluoromethyl)benzene?
The molecular weight of 1-[(4-Chlorophenyl)sulfonyl]-2-nitro-4-(trifluoromethyl)benzene is 364.97 g/mol.
Where can I buy 1-[(4-Chlorophenyl)sulfonyl]-2-nitro-4-(trifluoromethyl)benzene?
You can request a quote for 1-[(4-Chlorophenyl)sulfonyl]-2-nitro-4-(trifluoromethyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(4-Chlorophenyl)sulfonyl]-2-nitro-4-(trifluoromethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-[(4-Chlorophenyl)sulfonyl]-2-nitro-4-(trifluoromethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.