4-bromo-N-tert-butyl-3-methylbenzenesulfonamide
TL;DR: 4-bromo-N-tert-butyl-3-methylbenzenesulfonamide (CAS 958651-46-2) 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.
4-bromo-N-tert-butyl-3-methylbenzenesulfonamide
Also Known As: 4-bromo-N-tert-butyl-3-methylbenzenesulfonamide, 4-Bromo-N-(tert-butyl)-3-methylbenzenesulfonamide, 4-Nitrophenylboronic acid, pinacol ester, 4-Bromo-N-tert-butyl-3-methyl-benzenesulfonamide, B-1245
| Molecular Formula | C11H16BrNO2S |
|---|---|
| Molecular Weight | 305.01 g/mol |
| LogP | 2.83432 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 305.0085 |
| Heavy Atoms | 16 |
| Complexity | 489.1963 |
Chemical Identifiers
| CAS Number | 958651-46-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)S(=O)(=O)NC(C)(C)C)Br |
Product Overview
4-bromo-N-tert-butyl-3-methylbenzenesulfonamide (CAS 958651-46-2), with molecular formula C11H16BrNO2S and molecular weight 305.01 g/mol. IUPAC: 4-bromo-N-tert-butyl-3-methylbenzenesulfonamide.
Chemical Property Profile of 4-bromo-N-tert-butyl-3-methylbenzenesulfonamide
Property Insights of 4-bromo-N-tert-butyl-3-methylbenzenesulfonamide
The XLogP value of 2.83432 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-bromo-N-tert-butyl-3-methylbenzenesulfonamide. With a topological polar surface area (TPSA) of 46.17 Ų, 4-bromo-N-tert-butyl-3-methylbenzenesulfonamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-bromo-N-tert-butyl-3-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 4-bromo-N-tert-butyl-3-methylbenzenesulfonamide?
The CAS number of 4-bromo-N-tert-butyl-3-methylbenzenesulfonamide is 958651-46-2.
What is the molecular formula of 4-bromo-N-tert-butyl-3-methylbenzenesulfonamide?
The molecular formula of 4-bromo-N-tert-butyl-3-methylbenzenesulfonamide is C11H16BrNO2S.
What is the molecular weight of 4-bromo-N-tert-butyl-3-methylbenzenesulfonamide?
The molecular weight of 4-bromo-N-tert-butyl-3-methylbenzenesulfonamide is 305.01 g/mol.
Where can I buy 4-bromo-N-tert-butyl-3-methylbenzenesulfonamide?
You can request a quote for 4-bromo-N-tert-butyl-3-methylbenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-bromo-N-tert-butyl-3-methylbenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-bromo-N-tert-butyl-3-methylbenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.