N-Butyl 3-bromo-4-methylbenzenesulfonamide
TL;DR: N-Butyl 3-bromo-4-methylbenzenesulfonamide (CAS 850429-68-4) is a chemical compound with molecular formula C11H16BrNO2S and molecular weight 305.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-N-butyl-4-methylbenzenesulfonamide
Also Known As: N-BUTYL 3-BROMO-4-METHYLBENZENESULFONAMIDE, 3-bromo-N-butyl-4-methylbenzenesulfonamide, N-Butyl3-bromo-4-methylbenzenesulfonamide, 3-Bromo-N-butyl-4-methylbenzene-1-sulfonamide, 3-bromo-N-butyl-4-methyl-benzenesulfonamide
| Molecular Formula | C11H16BrNO2S |
|---|---|
| Molecular Weight | 305.01 g/mol |
| LogP | 2.83592 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 305.0085 |
| Heavy Atoms | 16 |
| Complexity | 457.0524 |
Chemical Identifiers
| CAS Number | 850429-68-4 |
|---|---|
| SMILES | CCCCNS(=O)(=O)C1=CC(=C(C=C1)C)Br |
Product Overview
N-Butyl 3-bromo-4-methylbenzenesulfonamide (CAS 850429-68-4), with molecular formula C11H16BrNO2S and molecular weight 305.01 g/mol. IUPAC: 3-bromo-N-butyl-4-methylbenzenesulfonamide.
Chemical Property Profile of N-Butyl 3-bromo-4-methylbenzenesulfonamide
Property Insights of N-Butyl 3-bromo-4-methylbenzenesulfonamide
The XLogP value of 2.83592 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Butyl 3-bromo-4-methylbenzenesulfonamide. With a topological polar surface area (TPSA) of 46.17 Ų, N-Butyl 3-bromo-4-methylbenzenesulfonamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Butyl 3-bromo-4-methylbenzenesulfonamide 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 N-Butyl 3-bromo-4-methylbenzenesulfonamide?
The CAS number of N-Butyl 3-bromo-4-methylbenzenesulfonamide is 850429-68-4.
What is the molecular formula of N-Butyl 3-bromo-4-methylbenzenesulfonamide?
The molecular formula of N-Butyl 3-bromo-4-methylbenzenesulfonamide is C11H16BrNO2S.
What is the molecular weight of N-Butyl 3-bromo-4-methylbenzenesulfonamide?
The molecular weight of N-Butyl 3-bromo-4-methylbenzenesulfonamide is 305.01 g/mol.
Where can I buy N-Butyl 3-bromo-4-methylbenzenesulfonamide?
You can request a quote for N-Butyl 3-bromo-4-methylbenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Butyl 3-bromo-4-methylbenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-Butyl 3-bromo-4-methylbenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.