C16H9BrClF3N2O2S
TL;DR: C16H9BrClF3N2O2S (CAS 1025276-98-5) is a chemical compound with molecular formula C16H9BrClF3N2O2S and molecular weight 463.92087 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[2-bromo-5-(trifluoromethyl)anilino]-2-(4-chlorophenyl)sulfonylprop-2-enenitrile
Also Known As: 3-((2-BROMO-5-(TRIFLUOROMETHYL)PHENYL)AMINO)-2-((4-CHLOROPHENYL)SULFONYL)PROP-2-ENENITRILE, (E)-3-[2-bromo-5-(trifluoromethyl)anilino]-2-(4-chlorophenyl)sulfonylprop-2-enenitrile, 3-[[2-bromo-5-(trifluoromethyl)phenyl]amino]-2-(4-chlorophenyl)sulfonyl-prop-2-enenitrile, 3-[2-bromo-5-(trifluoromethyl)anilino]-2-(4-chlorophenyl)sulfonyl-prop-2-enenitrile, 3-[2-bromo-5-(trifluoromethyl)anilino]-2-(4-chlorophenyl)sulfonylprop-2-enenitrile
Technical Specifications
| Molecular Formula | C16H9BrClF3N2O2S |
| Molecular Weight | 463.92087 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 78.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 463.92087 Da |
| Heavy Atoms | 26 |
| Complexity | 676.0 |
| SMILES | C1=CC(=CC=C1S(=O)(=O)C(=CNC2=C(C=CC(=C2)C(F)(F)F)Br)C#N)Cl |
| InChIKey | XSAGVCDSRHJCDZ-UHFFFAOYSA-N |
Chemical Property Profile of C16H9BrClF3N2O2S
Property Insights of C16H9BrClF3N2O2S
The XLogP value of 5.5 indicates that C16H9BrClF3N2O2S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.3 Ų falls within the moderate polarity range, balancing permeability and solubility for C16H9BrClF3N2O2S. Following Lipinski's Rule of Five, C16H9BrClF3N2O2S has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of C16H9BrClF3N2O2S?
The CAS number of C16H9BrClF3N2O2S is 1025276-98-5.
What is the molecular formula of C16H9BrClF3N2O2S?
The molecular formula of C16H9BrClF3N2O2S is C16H9BrClF3N2O2S.
What is the molecular weight of C16H9BrClF3N2O2S?
The molecular weight of C16H9BrClF3N2O2S is 463.92087 g/mol.
Where can I buy C16H9BrClF3N2O2S?
You can request a quote for C16H9BrClF3N2O2S directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C16H9BrClF3N2O2S?
Yes, CoreyChem provides custom synthesis services for C16H9BrClF3N2O2S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.