4-bromo-N-(4-methylphenyl)benzenesulfonamide
TL;DR: 4-bromo-N-(4-methylphenyl)benzenesulfonamide (CAS 7454-58-2) is a chemical compound with molecular formula C13H12BrNO2S and molecular weight 324.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-N-(4-methylphenyl)benzenesulfonamide
Also Known As: 4-bromo-N-(4-methylphenyl)benzenesulfonamide, 4-Bromo-N-(p-tolyl)benzenesulfonamide, Benzenesulfono-p-toluidide, 4-bromo-, NIOSH/DB8660000, 4-Bromobenzenesulfono-p-toluidide
| Molecular Formula | C13H12BrNO2S |
|---|---|
| Molecular Weight | 324.98 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 54.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.9772 |
| Heavy Atoms | 18 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 7454-58-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)Br |
| InChIKey | BQGUNVMKKZJGGE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-bromo-N-(4-methylphenyl)benzenesulfonamide (CAS 7454-58-2), with molecular formula C13H12BrNO2S and molecular weight 324.98 g/mol. IUPAC: 4-bromo-N-(4-methylphenyl)benzenesulfonamide.
Chemical Property Profile of 4-bromo-N-(4-methylphenyl)benzenesulfonamide
Property Insights of 4-bromo-N-(4-methylphenyl)benzenesulfonamide
The XLogP value of 3.5 indicates that 4-bromo-N-(4-methylphenyl)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, 4-bromo-N-(4-methylphenyl)benzenesulfonamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-bromo-N-(4-methylphenyl)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 4-bromo-N-(4-methylphenyl)benzenesulfonamide?
The CAS number of 4-bromo-N-(4-methylphenyl)benzenesulfonamide is 7454-58-2.
What is the molecular formula of 4-bromo-N-(4-methylphenyl)benzenesulfonamide?
The molecular formula of 4-bromo-N-(4-methylphenyl)benzenesulfonamide is C13H12BrNO2S.
What is the molecular weight of 4-bromo-N-(4-methylphenyl)benzenesulfonamide?
The molecular weight of 4-bromo-N-(4-methylphenyl)benzenesulfonamide is 324.98 g/mol.
Where can I buy 4-bromo-N-(4-methylphenyl)benzenesulfonamide?
You can request a quote for 4-bromo-N-(4-methylphenyl)benzenesulfonamide 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-(4-methylphenyl)benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-bromo-N-(4-methylphenyl)benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.