N-Benzyl-4-bromobenzenesulfonamide
TL;DR: N-Benzyl-4-bromobenzenesulfonamide (CAS 42096-67-3) 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.
N-benzyl-4-bromobenzenesulfonamide
Also Known As: N-Benzyl-4-bromobenzenesulfonamide, N-Benzyl 4-bromobenzenesulfonamide, N-Benzyl-p-bromobenzenesulfonamide, N-BENZYL-4-BROMOBENZENE-1-SULFONAMIDE, N-Benzyl-4-bromobenzenesulphonamide
| Molecular Formula | C13H12BrNO2S |
|---|---|
| Molecular Weight | 324.98 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 54.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 324.9772 |
| Heavy Atoms | 18 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 42096-67-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNS(=O)(=O)C2=CC=C(C=C2)Br |
| InChIKey | KBFYMIDQZWIKJR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Benzyl-4-bromobenzenesulfonamide (CAS 42096-67-3), with molecular formula C13H12BrNO2S and molecular weight 324.98 g/mol. IUPAC: N-benzyl-4-bromobenzenesulfonamide.
Chemical Property Profile of N-Benzyl-4-bromobenzenesulfonamide
Property Insights of N-Benzyl-4-bromobenzenesulfonamide
The XLogP value of 3.1 indicates that N-Benzyl-4-bromobenzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.6 Ų, N-Benzyl-4-bromobenzenesulfonamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Benzyl-4-bromobenzenesulfonamide 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 N-Benzyl-4-bromobenzenesulfonamide?
The CAS number of N-Benzyl-4-bromobenzenesulfonamide is 42096-67-3.
What is the molecular formula of N-Benzyl-4-bromobenzenesulfonamide?
The molecular formula of N-Benzyl-4-bromobenzenesulfonamide is C13H12BrNO2S.
What is the molecular weight of N-Benzyl-4-bromobenzenesulfonamide?
The molecular weight of N-Benzyl-4-bromobenzenesulfonamide is 324.98 g/mol.
Where can I buy N-Benzyl-4-bromobenzenesulfonamide?
You can request a quote for N-Benzyl-4-bromobenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Benzyl-4-bromobenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-Benzyl-4-bromobenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.