N-(2-bromoethyl)-4-methylbenzenesulfonamide
TL;DR: N-(2-bromoethyl)-4-methylbenzenesulfonamide (CAS 4556-90-5) is a chemical compound with molecular formula C9H12BrNO2S and molecular weight 276.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-bromoethyl)-4-methylbenzenesulfonamide
Also Known As: N-tosyl-2-bromoethylamine, N-(2-bromoethyl)-4-methylbenzenesulfonamide, N-(2-bromoethyl)-p-toluenesulfonamide, (2-bromoethyl)[(4-methylphenyl)sulfonyl]amine, Benzenesulfonamide, N-(2-bromoethyl)-4-methyl-
| Molecular Formula | C9H12BrNO2S |
|---|---|
| Molecular Weight | 276.98 g/mol |
| LogP | 1.66822 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 276.9772 |
| Heavy Atoms | 14 |
| Complexity | 385.77792 |
Chemical Identifiers
| CAS Number | 4556-90-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NCCBr |
Product Overview
N-(2-bromoethyl)-4-methylbenzenesulfonamide (CAS 4556-90-5), with molecular formula C9H12BrNO2S and molecular weight 276.98 g/mol. IUPAC: N-(2-bromoethyl)-4-methylbenzenesulfonamide.
Chemical Property Profile of N-(2-bromoethyl)-4-methylbenzenesulfonamide
Property Insights of N-(2-bromoethyl)-4-methylbenzenesulfonamide
The XLogP value of 1.66822 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-bromoethyl)-4-methylbenzenesulfonamide. With a topological polar surface area (TPSA) of 46.17 Ų, N-(2-bromoethyl)-4-methylbenzenesulfonamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-bromoethyl)-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-(2-bromoethyl)-4-methylbenzenesulfonamide?
The CAS number of N-(2-bromoethyl)-4-methylbenzenesulfonamide is 4556-90-5.
What is the molecular formula of N-(2-bromoethyl)-4-methylbenzenesulfonamide?
The molecular formula of N-(2-bromoethyl)-4-methylbenzenesulfonamide is C9H12BrNO2S.
What is the molecular weight of N-(2-bromoethyl)-4-methylbenzenesulfonamide?
The molecular weight of N-(2-bromoethyl)-4-methylbenzenesulfonamide is 276.98 g/mol.
Where can I buy N-(2-bromoethyl)-4-methylbenzenesulfonamide?
You can request a quote for N-(2-bromoethyl)-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-(2-bromoethyl)-4-methylbenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-bromoethyl)-4-methylbenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.