N-(2-cyanoethyl)-3,4-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
TL;DR: N-(2-cyanoethyl)-3,4-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide (CAS 185299-49-4) is a chemical compound with molecular formula C16H22N2O5S and molecular weight 354.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-cyanoethyl)-3,4-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
Also Known As: N-(2-cyanoethyl)-3,4-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide, Benzenesulfonamide, 3,4-dimethoxy-N-(2-cyanoethyl)-N-tetrahy, Benzenesulfonamide, 3,4-dimethoxy-N-(2-cyanoethyl)-N-tetrahydrofurfury l-, Benzenesulfonamide, 3,4-dimethoxy-N-(2-cyanoethyl)-N-tetrahydrofurfuryl-, N-(2-Cyanoethyl)-3,4-dimethoxy-N-(tetrahydro-2-furanylmethyl)benzenesulfonamide #
| Molecular Formula | C16H22N2O5S |
|---|---|
| Molecular Weight | 354.12 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 97.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 354.12494 |
| Heavy Atoms | 24 |
| Complexity | 538.0 |
Chemical Identifiers
| CAS Number | 185299-49-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)S(=O)(=O)N(CCC#N)CC2CCCO2)OC |
| InChIKey | POKGVQVQRRNUJA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(2-cyanoethyl)-3,4-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide (CAS 185299-49-4), with molecular formula C16H22N2O5S and molecular weight 354.12 g/mol. IUPAC: N-(2-cyanoethyl)-3,4-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide.
Chemical Property Profile of N-(2-cyanoethyl)-3,4-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
Property Insights of N-(2-cyanoethyl)-3,4-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-cyanoethyl)-3,4-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide. The TPSA of 97.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-cyanoethyl)-3,4-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide. Following Lipinski's Rule of Five, N-(2-cyanoethyl)-3,4-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide has 0 hydrogen bond donor(s) and 7 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-(2-cyanoethyl)-3,4-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The CAS number of N-(2-cyanoethyl)-3,4-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide is 185299-49-4.
What is the molecular formula of N-(2-cyanoethyl)-3,4-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The molecular formula of N-(2-cyanoethyl)-3,4-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide is C16H22N2O5S.
What is the molecular weight of N-(2-cyanoethyl)-3,4-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The molecular weight of N-(2-cyanoethyl)-3,4-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide is 354.12 g/mol.
Where can I buy N-(2-cyanoethyl)-3,4-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide?
You can request a quote for N-(2-cyanoethyl)-3,4-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-cyanoethyl)-3,4-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-cyanoethyl)-3,4-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.