3-bromo-N-(2-cyanoethyl)benzenesulfonamide
TL;DR: 3-bromo-N-(2-cyanoethyl)benzenesulfonamide (CAS 911111-94-9) is a chemical compound with molecular formula C9H9BrN2O2S and molecular weight 287.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-N-(2-cyanoethyl)benzenesulfonamide
Also Known As: 3-bromo-N-(2-cyanoethyl)benzenesulfonamide, Benzenesulfonamide, 3-bromo-N-(2-cyanoethyl)-, 3-Bromo-N-(2-cyano-ethyl)-benzenesulfonamide
| Molecular Formula | C9H9BrN2O2S |
|---|---|
| Molecular Weight | 287.96 g/mol |
| LogP | 1.64108 |
| Topological Polar Surface Area | 69.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 287.95682 |
| Heavy Atoms | 15 |
| Complexity | 479.13086 |
Chemical Identifiers
| CAS Number | 911111-94-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Br)S(=O)(=O)NCCC#N |
Product Overview
3-bromo-N-(2-cyanoethyl)benzenesulfonamide (CAS 911111-94-9), with molecular formula C9H9BrN2O2S and molecular weight 287.96 g/mol. IUPAC: 3-bromo-N-(2-cyanoethyl)benzenesulfonamide.
Chemical Property Profile of 3-bromo-N-(2-cyanoethyl)benzenesulfonamide
Property Insights of 3-bromo-N-(2-cyanoethyl)benzenesulfonamide
The XLogP value of 1.64108 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-bromo-N-(2-cyanoethyl)benzenesulfonamide. The TPSA of 69.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-bromo-N-(2-cyanoethyl)benzenesulfonamide. Following Lipinski's Rule of Five, 3-bromo-N-(2-cyanoethyl)benzenesulfonamide has 1 hydrogen bond donor(s) and 3 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-(2-cyanoethyl)benzenesulfonamide?
The CAS number of 3-bromo-N-(2-cyanoethyl)benzenesulfonamide is 911111-94-9.
What is the molecular formula of 3-bromo-N-(2-cyanoethyl)benzenesulfonamide?
The molecular formula of 3-bromo-N-(2-cyanoethyl)benzenesulfonamide is C9H9BrN2O2S.
What is the molecular weight of 3-bromo-N-(2-cyanoethyl)benzenesulfonamide?
The molecular weight of 3-bromo-N-(2-cyanoethyl)benzenesulfonamide is 287.96 g/mol.
Where can I buy 3-bromo-N-(2-cyanoethyl)benzenesulfonamide?
You can request a quote for 3-bromo-N-(2-cyanoethyl)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-(2-cyanoethyl)benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 3-bromo-N-(2-cyanoethyl)benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.