N-(1,3-dimethylbutyl)benzenesulfonamide
TL;DR: N-(1,3-dimethylbutyl)benzenesulfonamide (CAS 500540-80-7) 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.
N-(4-methylpentan-2-yl)benzenesulfonamide
Also Known As: N-(1,3-dimethylbutyl)benzenesulfonamide, N-(4-methylpentan-2-yl)benzenesulfonamide, AN-652/42205102
| Molecular Formula | C12H19NO2S |
|---|---|
| Molecular Weight | 241.11 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 54.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 241.11365 |
| Heavy Atoms | 16 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 500540-80-7 |
|---|---|
| SMILES | CC(C)CC(C)NS(=O)(=O)C1=CC=CC=C1 |
| InChIKey | HOTWSKFALOQVGX-UHFFFAOYSA-N |
Product Overview
N-(1,3-dimethylbutyl)benzenesulfonamide (CAS 500540-80-7), with molecular formula C12H19NO2S and molecular weight 241.11 g/mol. IUPAC: N-(4-methylpentan-2-yl)benzenesulfonamide.
Chemical Property Profile of N-(1,3-dimethylbutyl)benzenesulfonamide
Property Insights of N-(1,3-dimethylbutyl)benzenesulfonamide
The XLogP value of 3.0 indicates that N-(1,3-dimethylbutyl)benzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.6 Ų, N-(1,3-dimethylbutyl)benzenesulfonamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,3-dimethylbutyl)benzenesulfonamide 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-(1,3-dimethylbutyl)benzenesulfonamide?
The CAS number of N-(1,3-dimethylbutyl)benzenesulfonamide is 500540-80-7.
What is the molecular formula of N-(1,3-dimethylbutyl)benzenesulfonamide?
The molecular formula of N-(1,3-dimethylbutyl)benzenesulfonamide is C12H19NO2S.
What is the molecular weight of N-(1,3-dimethylbutyl)benzenesulfonamide?
The molecular weight of N-(1,3-dimethylbutyl)benzenesulfonamide is 241.11 g/mol.
Where can I buy N-(1,3-dimethylbutyl)benzenesulfonamide?
You can request a quote for N-(1,3-dimethylbutyl)benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-dimethylbutyl)benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-dimethylbutyl)benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.