p-Toluenesulfonamide, N-isobutyl-
TL;DR: p-Toluenesulfonamide, N-isobutyl- (CAS 23705-38-6) is a chemical compound with molecular formula C11H17NO2S and molecular weight 227.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-N-(2-methylpropyl)benzenesulfonamide
Also Known As: N-Isobutyl-p-toluenesulfonamide, 4-Methyl-N-(2-methylpropyl)benzenesulfonamide, p-Toluenesulfonamide, N-isobutyl-, N-isobutyl-4-methylbenzenesulfonamide, Benzenesulfonamide, 4-methyl-N-(2-methylpropyl)-
| Molecular Formula | C11H17NO2S |
|---|---|
| Molecular Weight | 227.10 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 54.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 227.098 |
| Heavy Atoms | 15 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 23705-38-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NCC(C)C |
| InChIKey | AAJQLLWEQXLVJJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-Toluenesulfonamide, N-isobutyl- (CAS 23705-38-6), with molecular formula C11H17NO2S and molecular weight 227.10 g/mol. IUPAC: 4-methyl-N-(2-methylpropyl)benzenesulfonamide.
Chemical Property Profile of p-Toluenesulfonamide, N-isobutyl-
Property Insights of p-Toluenesulfonamide, N-isobutyl-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for p-Toluenesulfonamide, N-isobutyl-. With a topological polar surface area (TPSA) of 54.6 Ų, p-Toluenesulfonamide, N-isobutyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Toluenesulfonamide, N-isobutyl- 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 p-Toluenesulfonamide, N-isobutyl-?
The CAS number of p-Toluenesulfonamide, N-isobutyl- is 23705-38-6.
What is the molecular formula of p-Toluenesulfonamide, N-isobutyl-?
The molecular formula of p-Toluenesulfonamide, N-isobutyl- is C11H17NO2S.
What is the molecular weight of p-Toluenesulfonamide, N-isobutyl-?
The molecular weight of p-Toluenesulfonamide, N-isobutyl- is 227.10 g/mol.
Where can I buy p-Toluenesulfonamide, N-isobutyl-?
You can request a quote for p-Toluenesulfonamide, N-isobutyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Toluenesulfonamide, N-isobutyl-?
Yes, KEHONG BIO provides custom synthesis services for p-Toluenesulfonamide, N-isobutyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.