N-tert-butyl-3-cyano-4-ethoxybenzenesulfonamide
TL;DR: N-tert-butyl-3-cyano-4-ethoxybenzenesulfonamide (CAS 728030-19-1) is a chemical compound with molecular formula C13H18N2O3S and molecular weight 282.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-tert-butyl-3-cyano-4-ethoxybenzenesulfonamide
Also Known As: N-tert-butyl-3-cyano-4-ethoxybenzenesulfonamide, N-(tert-butyl)-3-cyano-4-ethoxybenzenesulfonamide, 5-{[(tert-butyl)amino]sulfonyl}-2-ethoxybenzenecarbonitrile, A3868/0164321, N-TERT-BUTYL-3-CYANO-4-ETHOXYBENZENE-1-SULFONAMIDE
| Molecular Formula | C13H18N2O3S |
|---|---|
| Molecular Weight | 282.10 g/mol |
| LogP | 2.03378 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 282.10382 |
| Heavy Atoms | 19 |
| Complexity | 595.29486 |
Chemical Identifiers
| CAS Number | 728030-19-1 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)S(=O)(=O)NC(C)(C)C)C#N |
Product Overview
N-tert-butyl-3-cyano-4-ethoxybenzenesulfonamide (CAS 728030-19-1), with molecular formula C13H18N2O3S and molecular weight 282.10 g/mol. IUPAC: N-tert-butyl-3-cyano-4-ethoxybenzenesulfonamide.
Chemical Property Profile of N-tert-butyl-3-cyano-4-ethoxybenzenesulfonamide
Property Insights of N-tert-butyl-3-cyano-4-ethoxybenzenesulfonamide
The XLogP value of 2.03378 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-tert-butyl-3-cyano-4-ethoxybenzenesulfonamide. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for N-tert-butyl-3-cyano-4-ethoxybenzenesulfonamide. Following Lipinski's Rule of Five, N-tert-butyl-3-cyano-4-ethoxybenzenesulfonamide 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 N-tert-butyl-3-cyano-4-ethoxybenzenesulfonamide?
The CAS number of N-tert-butyl-3-cyano-4-ethoxybenzenesulfonamide is 728030-19-1.
What is the molecular formula of N-tert-butyl-3-cyano-4-ethoxybenzenesulfonamide?
The molecular formula of N-tert-butyl-3-cyano-4-ethoxybenzenesulfonamide is C13H18N2O3S.
What is the molecular weight of N-tert-butyl-3-cyano-4-ethoxybenzenesulfonamide?
The molecular weight of N-tert-butyl-3-cyano-4-ethoxybenzenesulfonamide is 282.10 g/mol.
Where can I buy N-tert-butyl-3-cyano-4-ethoxybenzenesulfonamide?
You can request a quote for N-tert-butyl-3-cyano-4-ethoxybenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-tert-butyl-3-cyano-4-ethoxybenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-tert-butyl-3-cyano-4-ethoxybenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.