![3-bromo-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide structure](/static/products/1004/1004642-09-4.webp)
3-bromo-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
TL;DR: 3-bromo-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide (CAS 1004642-09-4) is a chemical compound with molecular formula C13H9BrF3NO2S and molecular weight 378.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
Also Known As: 3-bromo-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide, AT-137/43420827, 3-Bromo-N-(3-trifluoromethyl-phenyl)-benzenesulfon, 3-Bromo-N-(3-(trifluoromethyl)phenyl)benzenesulfonamide, 3-Bromo-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide, 97%
| Molecular Formula | C13H9BrF3NO2S |
|---|---|
| Molecular Weight | 378.95 g/mol |
| LogP | 4.2687 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 378.94894 |
| Heavy Atoms | 21 |
| Complexity | 760.00684 |
Chemical Identifiers
| CAS Number | 1004642-09-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NS(=O)(=O)C2=CC(=CC=C2)Br)C(F)(F)F |
Product Overview
3-bromo-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide (CAS 1004642-09-4), with molecular formula C13H9BrF3NO2S and molecular weight 378.95 g/mol. IUPAC: 3-bromo-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide.
Chemical Property Profile of 3-bromo-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
Property Insights of 3-bromo-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
The XLogP value of 4.2687 indicates that 3-bromo-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.17 Ų, 3-bromo-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-bromo-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide has 1 hydrogen bond donor(s) and 2 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-bromo-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
The CAS number of 3-bromo-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide is 1004642-09-4.
What is the molecular formula of 3-bromo-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
The molecular formula of 3-bromo-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide is C13H9BrF3NO2S.
What is the molecular weight of 3-bromo-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
The molecular weight of 3-bromo-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide is 378.95 g/mol.
Where can I buy 3-bromo-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
You can request a quote for 3-bromo-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-bromo-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 3-bromo-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.