N,N-Dimethyl 3-bromo-4-methylbenzenesulfonamide
TL;DR: N,N-Dimethyl 3-bromo-4-methylbenzenesulfonamide (CAS 850429-72-0) 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.
3-bromo-N,N,4-trimethylbenzenesulfonamide
Also Known As: N,N-Dimethyl 3-bromo-4-methylbenzenesulfonamide, 3-bromo-N,N,4-trimethylbenzenesulfonamide, 3-bromo-N,N,4-trimethyl-benzenesulfonamide, Benzenesulfonamide,3-bromo-N,N,4-trimethyl-, N,N-DIMETHYL-3-BROMO-4-METHYLBENZENESULFONAMIDE
| Molecular Formula | C9H12BrNO2S |
|---|---|
| Molecular Weight | 276.98 g/mol |
| LogP | 2.00782 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 276.9772 |
| Heavy Atoms | 14 |
| Complexity | 440.1252 |
Chemical Identifiers
| CAS Number | 850429-72-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)Br |
Product Overview
N,N-Dimethyl 3-bromo-4-methylbenzenesulfonamide (CAS 850429-72-0), with molecular formula C9H12BrNO2S and molecular weight 276.98 g/mol. IUPAC: 3-bromo-N,N,4-trimethylbenzenesulfonamide.
Chemical Property Profile of N,N-Dimethyl 3-bromo-4-methylbenzenesulfonamide
Property Insights of N,N-Dimethyl 3-bromo-4-methylbenzenesulfonamide
The XLogP value of 2.00782 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-Dimethyl 3-bromo-4-methylbenzenesulfonamide. With a topological polar surface area (TPSA) of 37.38 Ų, N,N-Dimethyl 3-bromo-4-methylbenzenesulfonamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-Dimethyl 3-bromo-4-methylbenzenesulfonamide has 0 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,N-Dimethyl 3-bromo-4-methylbenzenesulfonamide?
The CAS number of N,N-Dimethyl 3-bromo-4-methylbenzenesulfonamide is 850429-72-0.
What is the molecular formula of N,N-Dimethyl 3-bromo-4-methylbenzenesulfonamide?
The molecular formula of N,N-Dimethyl 3-bromo-4-methylbenzenesulfonamide is C9H12BrNO2S.
What is the molecular weight of N,N-Dimethyl 3-bromo-4-methylbenzenesulfonamide?
The molecular weight of N,N-Dimethyl 3-bromo-4-methylbenzenesulfonamide is 276.98 g/mol.
Where can I buy N,N-Dimethyl 3-bromo-4-methylbenzenesulfonamide?
You can request a quote for N,N-Dimethyl 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,N-Dimethyl 3-bromo-4-methylbenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N,N-Dimethyl 3-bromo-4-methylbenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.