4-methyl-N-(prop-2-en-1-yl)benzene-1-sulfonamide
TL;DR: 4-methyl-N-(prop-2-en-1-yl)benzene-1-sulfonamide (CAS 50487-71-3) is a chemical compound with molecular formula C10H13NO2S and molecular weight 211.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-N-prop-2-enylbenzenesulfonamide
Also Known As: N-Allyl-4-methylbenzenesulfonamide, N-Allyl-p-toluenesulfonamide, Tosylallylamine, N-tosylallylamine, allyl tosyl amine
| Molecular Formula | C10H13NO2S |
|---|---|
| Molecular Weight | 211.07 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 54.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 211.0667 |
| Heavy Atoms | 14 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 50487-71-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NCC=C |
| InChIKey | SQMCYQSCMCMEIL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-methyl-N-(prop-2-en-1-yl)benzene-1-sulfonamide (CAS 50487-71-3), with molecular formula C10H13NO2S and molecular weight 211.07 g/mol. IUPAC: 4-methyl-N-prop-2-enylbenzenesulfonamide.
Chemical Property Profile of 4-methyl-N-(prop-2-en-1-yl)benzene-1-sulfonamide
Property Insights of 4-methyl-N-(prop-2-en-1-yl)benzene-1-sulfonamide
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-methyl-N-(prop-2-en-1-yl)benzene-1-sulfonamide. With a topological polar surface area (TPSA) of 54.6 Ų, 4-methyl-N-(prop-2-en-1-yl)benzene-1-sulfonamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-methyl-N-(prop-2-en-1-yl)benzene-1-sulfonamide 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 4-methyl-N-(prop-2-en-1-yl)benzene-1-sulfonamide?
The CAS number of 4-methyl-N-(prop-2-en-1-yl)benzene-1-sulfonamide is 50487-71-3.
What is the molecular formula of 4-methyl-N-(prop-2-en-1-yl)benzene-1-sulfonamide?
The molecular formula of 4-methyl-N-(prop-2-en-1-yl)benzene-1-sulfonamide is C10H13NO2S.
What is the molecular weight of 4-methyl-N-(prop-2-en-1-yl)benzene-1-sulfonamide?
The molecular weight of 4-methyl-N-(prop-2-en-1-yl)benzene-1-sulfonamide is 211.07 g/mol.
Where can I buy 4-methyl-N-(prop-2-en-1-yl)benzene-1-sulfonamide?
You can request a quote for 4-methyl-N-(prop-2-en-1-yl)benzene-1-sulfonamide 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-(prop-2-en-1-yl)benzene-1-sulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-methyl-N-(prop-2-en-1-yl)benzene-1-sulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.