4-methyl-N-(3-methylbutyl)benzenesulfonamide
TL;DR: 4-methyl-N-(3-methylbutyl)benzenesulfonamide (CAS 53226-44-1) is a chemical compound with molecular formula C12H19NO2S and molecular weight 241.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-N-(3-methylbutyl)benzenesulfonamide
Also Known As: 4-methyl-N-(3-methylbutyl)benzenesulfonamide, N-Isopentyl-p-toluenesulfonamide, N-Tosyl-3-methylbutane-1-amine, N-isopentyl-toluene-4-sulfonamide, N-isopentyl-4-methylbenzenesulfonamide
| Molecular Formula | C12H19NO2S |
|---|---|
| Molecular Weight | 241.11 g/mol |
| LogP | 2.31942 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 241.11365 |
| Heavy Atoms | 16 |
| Complexity | 420.8369 |
Chemical Identifiers
| CAS Number | 53226-44-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NCCC(C)C |
Product Overview
4-methyl-N-(3-methylbutyl)benzenesulfonamide (CAS 53226-44-1), with molecular formula C12H19NO2S and molecular weight 241.11 g/mol. IUPAC: 4-methyl-N-(3-methylbutyl)benzenesulfonamide.
Chemical Property Profile of 4-methyl-N-(3-methylbutyl)benzenesulfonamide
Property Insights of 4-methyl-N-(3-methylbutyl)benzenesulfonamide
The XLogP value of 2.31942 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-methyl-N-(3-methylbutyl)benzenesulfonamide. With a topological polar surface area (TPSA) of 46.17 Ų, 4-methyl-N-(3-methylbutyl)benzenesulfonamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-methyl-N-(3-methylbutyl)benzenesulfonamide has 1 hydrogen bond donor(s) and 2 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 4-methyl-N-(3-methylbutyl)benzenesulfonamide?
The CAS number of 4-methyl-N-(3-methylbutyl)benzenesulfonamide is 53226-44-1.
What is the molecular formula of 4-methyl-N-(3-methylbutyl)benzenesulfonamide?
The molecular formula of 4-methyl-N-(3-methylbutyl)benzenesulfonamide is C12H19NO2S.
What is the molecular weight of 4-methyl-N-(3-methylbutyl)benzenesulfonamide?
The molecular weight of 4-methyl-N-(3-methylbutyl)benzenesulfonamide is 241.11 g/mol.
Where can I buy 4-methyl-N-(3-methylbutyl)benzenesulfonamide?
You can request a quote for 4-methyl-N-(3-methylbutyl)benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-methyl-N-(3-methylbutyl)benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-methyl-N-(3-methylbutyl)benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.