4-Bromo-N-2-propen-1-ylbenzenesulfonamide
TL;DR: 4-Bromo-N-2-propen-1-ylbenzenesulfonamide (CAS 830-41-1) is a chemical compound with molecular formula C9H10BrNO2S and molecular weight 274.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-N-prop-2-enylbenzenesulfonamide
Also Known As: n-allyl-4-bromobenzenesulfonamide, N-Allyl-p-bromobenzenesulfonamide, Benzenesulfonamide, N-allyl-p-bromo-, 4-Bromo-N-2-propen-1-ylbenzenesulfonamide, 4-bromo-N-prop-2-enylbenzenesulfonamide
| Molecular Formula | C9H10BrNO2S |
|---|---|
| Molecular Weight | 274.96 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 54.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 274.96155 |
| Heavy Atoms | 14 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 830-41-1 |
|---|---|
| SMILES | C=CCNS(=O)(=O)C1=CC=C(C=C1)Br |
| InChIKey | ZJJKFCZKLGCVNS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Bromo-N-2-propen-1-ylbenzenesulfonamide (CAS 830-41-1), with molecular formula C9H10BrNO2S and molecular weight 274.96 g/mol. IUPAC: 4-bromo-N-prop-2-enylbenzenesulfonamide.
Chemical Property Profile of 4-Bromo-N-2-propen-1-ylbenzenesulfonamide
Property Insights of 4-Bromo-N-2-propen-1-ylbenzenesulfonamide
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-N-2-propen-1-ylbenzenesulfonamide. With a topological polar surface area (TPSA) of 54.6 Ų, 4-Bromo-N-2-propen-1-ylbenzenesulfonamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-N-2-propen-1-ylbenzenesulfonamide 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-2-propen-1-ylbenzenesulfonamide?
The CAS number of 4-Bromo-N-2-propen-1-ylbenzenesulfonamide is 830-41-1.
What is the molecular formula of 4-Bromo-N-2-propen-1-ylbenzenesulfonamide?
The molecular formula of 4-Bromo-N-2-propen-1-ylbenzenesulfonamide is C9H10BrNO2S.
What is the molecular weight of 4-Bromo-N-2-propen-1-ylbenzenesulfonamide?
The molecular weight of 4-Bromo-N-2-propen-1-ylbenzenesulfonamide is 274.96 g/mol.
Where can I buy 4-Bromo-N-2-propen-1-ylbenzenesulfonamide?
You can request a quote for 4-Bromo-N-2-propen-1-ylbenzenesulfonamide 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-2-propen-1-ylbenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-N-2-propen-1-ylbenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.