N-(1,3-benzodioxol-5-ylmethyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide (CAS 873588-06-8) is a chemical compound with molecular formula C15H11F4NO4S and molecular weight 377.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
Also Known As: ASN 12914391, N-(1,3-benzodioxol-5-ylmethyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide, AF-399/43302401, N-Benzo[1,3]dioxol-5-ylmethyl-4-fluoro-3-trifluoromethyl-benzenesulfonamide, (2H-benzo[3,4-d]1,3-dioxolen-5-ylmethyl){[4-fluoro-3-(trifluoromethyl)phenyl]s ulfonyl}amine
| Molecular Formula | C15H11F4NO4S |
|---|---|
| Molecular Weight | 377.03 g/mol |
| LogP | 3.0517 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 377.0345 |
| Heavy Atoms | 25 |
| Complexity | 912.2327 |
Chemical Identifiers
| CAS Number | 873588-06-8 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNS(=O)(=O)C3=CC(=C(C=C3)F)C(F)(F)F |
Product Overview
N-(1,3-benzodioxol-5-ylmethyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide (CAS 873588-06-8), with molecular formula C15H11F4NO4S and molecular weight 377.03 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
The XLogP value of 3.0517 indicates that N-(1,3-benzodioxol-5-ylmethyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-ylmethyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide has 1 hydrogen bond donor(s) and 4 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-(1,3-benzodioxol-5-ylmethyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide is 873588-06-8.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide is C15H11F4NO4S.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide is 377.03 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzodioxol-5-ylmethyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.