![4-bromo-N-[4-(2-phenylethynyl)phenyl]benzenesulfonamide structure](/static/products/4390/439097-33-3.webp)
4-bromo-N-[4-(2-phenylethynyl)phenyl]benzenesulfonamide
TL;DR: 4-bromo-N-[4-(2-phenylethynyl)phenyl]benzenesulfonamide (CAS 439097-33-3) is a chemical compound with molecular formula C20H14BrNO2S and molecular weight 410.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-N-[4-(2-phenylethynyl)phenyl]benzenesulfonamide
Also Known As: 4-bromo-N-[4-(2-phenylethynyl)phenyl]benzenesulfonamide, 4-bromo-N-[4-(2-phenylethynyl)phenyl]benzene-1-sulfonamide, 2T-1122
| Molecular Formula | C20H14BrNO2S |
|---|---|
| Molecular Weight | 410.99 g/mol |
| LogP | 4.6497 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 410.99286 |
| Heavy Atoms | 25 |
| Complexity | 1017.0543 |
Chemical Identifiers
| CAS Number | 439097-33-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C#CC2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)Br |
Product Overview
4-bromo-N-[4-(2-phenylethynyl)phenyl]benzenesulfonamide (CAS 439097-33-3), with molecular formula C20H14BrNO2S and molecular weight 410.99 g/mol. IUPAC: 4-bromo-N-[4-(2-phenylethynyl)phenyl]benzenesulfonamide.
Chemical Property Profile of 4-bromo-N-[4-(2-phenylethynyl)phenyl]benzenesulfonamide
Property Insights of 4-bromo-N-[4-(2-phenylethynyl)phenyl]benzenesulfonamide
The XLogP value of 4.6497 indicates that 4-bromo-N-[4-(2-phenylethynyl)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, 4-bromo-N-[4-(2-phenylethynyl)phenyl]benzenesulfonamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-bromo-N-[4-(2-phenylethynyl)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 4-bromo-N-[4-(2-phenylethynyl)phenyl]benzenesulfonamide?
The CAS number of 4-bromo-N-[4-(2-phenylethynyl)phenyl]benzenesulfonamide is 439097-33-3.
What is the molecular formula of 4-bromo-N-[4-(2-phenylethynyl)phenyl]benzenesulfonamide?
The molecular formula of 4-bromo-N-[4-(2-phenylethynyl)phenyl]benzenesulfonamide is C20H14BrNO2S.
What is the molecular weight of 4-bromo-N-[4-(2-phenylethynyl)phenyl]benzenesulfonamide?
The molecular weight of 4-bromo-N-[4-(2-phenylethynyl)phenyl]benzenesulfonamide is 410.99 g/mol.
Where can I buy 4-bromo-N-[4-(2-phenylethynyl)phenyl]benzenesulfonamide?
You can request a quote for 4-bromo-N-[4-(2-phenylethynyl)phenyl]benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-bromo-N-[4-(2-phenylethynyl)phenyl]benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-bromo-N-[4-(2-phenylethynyl)phenyl]benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.