n-Allylbenzenesulfonamide
TL;DR: n-Allylbenzenesulfonamide (CAS 50487-70-2) is a chemical compound with molecular formula C9H11NO2S and molecular weight 197.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-prop-2-enylbenzenesulfonamide
Also Known As: n-allylbenzenesulfonamide, N-(prop-2-en-1-yl)benzenesulfonamide, n-2-propen-1-ylbenzenesulfonamide, N-prop-2-enylbenzenesulfonamide, NCIOpen2_000980
| Molecular Formula | C9H11NO2S |
|---|---|
| Molecular Weight | 197.05 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 54.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 197.05106 |
| Heavy Atoms | 13 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 50487-70-2 |
|---|---|
| SMILES | C=CCNS(=O)(=O)C1=CC=CC=C1 |
| InChIKey | AUSDMZUIKMAAEN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
n-Allylbenzenesulfonamide (CAS 50487-70-2), with molecular formula C9H11NO2S and molecular weight 197.05 g/mol. IUPAC: N-prop-2-enylbenzenesulfonamide.
Chemical Property Profile of n-Allylbenzenesulfonamide
Property Insights of n-Allylbenzenesulfonamide
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for n-Allylbenzenesulfonamide. With a topological polar surface area (TPSA) of 54.6 Ų, n-Allylbenzenesulfonamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, n-Allylbenzenesulfonamide 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-Allylbenzenesulfonamide?
The CAS number of n-Allylbenzenesulfonamide is 50487-70-2.
What is the molecular formula of n-Allylbenzenesulfonamide?
The molecular formula of n-Allylbenzenesulfonamide is C9H11NO2S.
What is the molecular weight of n-Allylbenzenesulfonamide?
The molecular weight of n-Allylbenzenesulfonamide is 197.05 g/mol.
Where can I buy n-Allylbenzenesulfonamide?
You can request a quote for n-Allylbenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n-Allylbenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for n-Allylbenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.