4-bromo-N-heptylbenzenesulfonamide
TL;DR: 4-bromo-N-heptylbenzenesulfonamide (CAS 100452-00-4) is a chemical compound with molecular formula C13H20BrNO2S and molecular weight 333.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-N-heptylbenzenesulfonamide
Also Known As: 4-bromo-N-heptylbenzenesulfonamide, 4-bromo-N-heptylbenzene-1-sulfonamide, (p-bromophenylsulfonyl)heptylamine, 4-bromo-N-heptyl-benzenesulfonamide, [(4-bromophenyl)sulfonyl]heptylamine
| Molecular Formula | C13H20BrNO2S |
|---|---|
| Molecular Weight | 333.04 g/mol |
| LogP | 3.6978 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 333.0398 |
| Heavy Atoms | 18 |
| Complexity | 442.56396 |
Chemical Identifiers
| CAS Number | 100452-00-4 |
|---|---|
| SMILES | CCCCCCCNS(=O)(=O)C1=CC=C(C=C1)Br |
Product Overview
4-bromo-N-heptylbenzenesulfonamide (CAS 100452-00-4), with molecular formula C13H20BrNO2S and molecular weight 333.04 g/mol. IUPAC: 4-bromo-N-heptylbenzenesulfonamide.
Chemical Property Profile of 4-bromo-N-heptylbenzenesulfonamide
Property Insights of 4-bromo-N-heptylbenzenesulfonamide
The XLogP value of 3.6978 indicates that 4-bromo-N-heptylbenzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.17 Ų, 4-bromo-N-heptylbenzenesulfonamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-bromo-N-heptylbenzenesulfonamide 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-heptylbenzenesulfonamide?
The CAS number of 4-bromo-N-heptylbenzenesulfonamide is 100452-00-4.
What is the molecular formula of 4-bromo-N-heptylbenzenesulfonamide?
The molecular formula of 4-bromo-N-heptylbenzenesulfonamide is C13H20BrNO2S.
What is the molecular weight of 4-bromo-N-heptylbenzenesulfonamide?
The molecular weight of 4-bromo-N-heptylbenzenesulfonamide is 333.04 g/mol.
Where can I buy 4-bromo-N-heptylbenzenesulfonamide?
You can request a quote for 4-bromo-N-heptylbenzenesulfonamide 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-heptylbenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-bromo-N-heptylbenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.