N-(1-cyanopropyl)-4-methylbenzenesulfonamide
TL;DR: N-(1-cyanopropyl)-4-methylbenzenesulfonamide (CAS 99841-23-3) is a chemical compound with molecular formula C11H14N2O2S and molecular weight 238.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-cyanopropyl)-4-methylbenzenesulfonamide
Also Known As: 2-(Tosylamino)butanenitrile, N-(alpha-cyanopropyl)-p-toluenesulfonamide, N-(1-cyanopropyl)-4-methylbenzenesulfonamide, J2.772.319E, N-(1-cyanopropyl)-4-methyl-benzenesulfonamide
| Molecular Formula | C11H14N2O2S |
|---|---|
| Molecular Weight | 238.08 g/mol |
| LogP | 1.5755 |
| Topological Polar Surface Area | 69.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 238.0776 |
| Heavy Atoms | 16 |
| Complexity | 485.711 |
Chemical Identifiers
| CAS Number | 99841-23-3 |
|---|---|
| SMILES | CCC(C#N)NS(=O)(=O)C1=CC=C(C=C1)C |
Product Overview
N-(1-cyanopropyl)-4-methylbenzenesulfonamide (CAS 99841-23-3), with molecular formula C11H14N2O2S and molecular weight 238.08 g/mol. IUPAC: N-(1-cyanopropyl)-4-methylbenzenesulfonamide.
Chemical Property Profile of N-(1-cyanopropyl)-4-methylbenzenesulfonamide
Property Insights of N-(1-cyanopropyl)-4-methylbenzenesulfonamide
The XLogP value of 1.5755 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1-cyanopropyl)-4-methylbenzenesulfonamide. The TPSA of 69.96 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1-cyanopropyl)-4-methylbenzenesulfonamide. Following Lipinski's Rule of Five, N-(1-cyanopropyl)-4-methylbenzenesulfonamide 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 N-(1-cyanopropyl)-4-methylbenzenesulfonamide?
The CAS number of N-(1-cyanopropyl)-4-methylbenzenesulfonamide is 99841-23-3.
What is the molecular formula of N-(1-cyanopropyl)-4-methylbenzenesulfonamide?
The molecular formula of N-(1-cyanopropyl)-4-methylbenzenesulfonamide is C11H14N2O2S.
What is the molecular weight of N-(1-cyanopropyl)-4-methylbenzenesulfonamide?
The molecular weight of N-(1-cyanopropyl)-4-methylbenzenesulfonamide is 238.08 g/mol.
Where can I buy N-(1-cyanopropyl)-4-methylbenzenesulfonamide?
You can request a quote for N-(1-cyanopropyl)-4-methylbenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1-cyanopropyl)-4-methylbenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1-cyanopropyl)-4-methylbenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.