5-Bromo-N-(3-cyanophenyl)-2-ethoxybenzene-1-sulfonamide
TL;DR: 5-Bromo-N-(3-cyanophenyl)-2-ethoxybenzene-1-sulfonamide (CAS 5444-96-2) is a chemical compound with molecular formula C15H13BrN2O3S and molecular weight 379.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-N-(3-cyanophenyl)-2-ethoxybenzenesulfonamide
Also Known As: 5-bromo-N-(3-cyanophenyl)-2-ethoxybenzenesulfonamide, T0519-6748, 5-Bromo-N-(3-cyanophenyl)-2-ethoxybenzene-1-sulfonamide
| Molecular Formula | C15H13BrN2O3S |
|---|---|
| Molecular Weight | 379.98 g/mol |
| LogP | 3.52028 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 379.98303 |
| Heavy Atoms | 22 |
| Complexity | 828.92145 |
Chemical Identifiers
| CAS Number | 5444-96-2 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)Br)S(=O)(=O)NC2=CC=CC(=C2)C#N |
Product Overview
5-Bromo-N-(3-cyanophenyl)-2-ethoxybenzene-1-sulfonamide (CAS 5444-96-2), with molecular formula C15H13BrN2O3S and molecular weight 379.98 g/mol. IUPAC: 5-bromo-N-(3-cyanophenyl)-2-ethoxybenzenesulfonamide.
Chemical Property Profile of 5-Bromo-N-(3-cyanophenyl)-2-ethoxybenzene-1-sulfonamide
Property Insights of 5-Bromo-N-(3-cyanophenyl)-2-ethoxybenzene-1-sulfonamide
The XLogP value of 3.52028 indicates that 5-Bromo-N-(3-cyanophenyl)-2-ethoxybenzene-1-sulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Bromo-N-(3-cyanophenyl)-2-ethoxybenzene-1-sulfonamide. Following Lipinski's Rule of Five, 5-Bromo-N-(3-cyanophenyl)-2-ethoxybenzene-1-sulfonamide has 1 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 5-Bromo-N-(3-cyanophenyl)-2-ethoxybenzene-1-sulfonamide?
The CAS number of 5-Bromo-N-(3-cyanophenyl)-2-ethoxybenzene-1-sulfonamide is 5444-96-2.
What is the molecular formula of 5-Bromo-N-(3-cyanophenyl)-2-ethoxybenzene-1-sulfonamide?
The molecular formula of 5-Bromo-N-(3-cyanophenyl)-2-ethoxybenzene-1-sulfonamide is C15H13BrN2O3S.
What is the molecular weight of 5-Bromo-N-(3-cyanophenyl)-2-ethoxybenzene-1-sulfonamide?
The molecular weight of 5-Bromo-N-(3-cyanophenyl)-2-ethoxybenzene-1-sulfonamide is 379.98 g/mol.
Where can I buy 5-Bromo-N-(3-cyanophenyl)-2-ethoxybenzene-1-sulfonamide?
You can request a quote for 5-Bromo-N-(3-cyanophenyl)-2-ethoxybenzene-1-sulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-N-(3-cyanophenyl)-2-ethoxybenzene-1-sulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-N-(3-cyanophenyl)-2-ethoxybenzene-1-sulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.