![3-bromo-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide structure](/static/products/100/1004466-00-5.webp)
3-bromo-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
TL;DR: 3-bromo-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide (CAS 1004466-00-5) is a chemical compound with molecular formula C13H9BrF3NO3S and molecular weight 394.94385 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-bromo-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
Also Known As: 3-bromo-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide, AO-854/43461174, 3-Bromo-N-(4-trifluoromethoxy-phenyl)-benzenesulfo, 3-Bromo-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide, 97%
Technical Specifications
| Molecular Formula | C13H9BrF3NO3S |
| Molecular Weight | 394.94385 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 63.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.94385 Da |
| Heavy Atoms | 22 |
| Complexity | 458.0 |
| SMILES | C1=CC(=CC(=C1)Br)S(=O)(=O)NC2=CC=C(C=C2)OC(F)(F)F |
| InChIKey | SZAQIQRIFIUFNT-UHFFFAOYSA-N |
Chemical Property Profile of 3-bromo-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
Property Insights of 3-bromo-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
The XLogP value of 4.1 indicates that 3-bromo-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-bromo-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide. Following Lipinski's Rule of Five, 3-bromo-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-bromo-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide?
The CAS number of 3-bromo-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide is 1004466-00-5.
What is the molecular formula of 3-bromo-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide?
The molecular formula of 3-bromo-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide is C13H9BrF3NO3S.
What is the molecular weight of 3-bromo-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide?
The molecular weight of 3-bromo-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide is 394.94385 g/mol.
Where can I buy 3-bromo-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide?
You can request a quote for 3-bromo-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-bromo-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide?
Yes, CoreyChem provides custom synthesis services for 3-bromo-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.