N-(1,3-benzodioxol-5-ylmethyl)-5-fluoro-2-methoxybenzenesulfonamide
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)-5-fluoro-2-methoxybenzenesulfonamide (CAS 691380-68-4) is a chemical compound with molecular formula C15H14FNO5S and molecular weight 339.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-5-fluoro-2-methoxybenzenesulfonamide
Also Known As: UPCMLD0ENAT5955263:001, F1648-0024, N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-fluoro-2-methoxybenzene-1-sulfonamide, N-(1,3-benzodioxol-5-ylmethyl)-5-fluoro-2-methoxybenzenesulfonamide, N-(benzo[1,3]dioxol-5-ylmethyl)-5-fluoro-2-methoxy-benzenesulfonamide
| Molecular Formula | C15H14FNO5S |
|---|---|
| Molecular Weight | 339.06 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 82.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 339.05768 |
| Heavy Atoms | 23 |
| Complexity | 497.0 |
Chemical Identifiers
| CAS Number | 691380-68-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)F)S(=O)(=O)NCC2=CC3=C(C=C2)OCO3 |
| InChIKey | DTDPIOZFZCAXCS-UHFFFAOYSA-N |
Product Overview
N-(1,3-benzodioxol-5-ylmethyl)-5-fluoro-2-methoxybenzenesulfonamide (CAS 691380-68-4), with molecular formula C15H14FNO5S and molecular weight 339.06 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-5-fluoro-2-methoxybenzenesulfonamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)-5-fluoro-2-methoxybenzenesulfonamide
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)-5-fluoro-2-methoxybenzenesulfonamide
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzodioxol-5-ylmethyl)-5-fluoro-2-methoxybenzenesulfonamide. The TPSA of 82.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-ylmethyl)-5-fluoro-2-methoxybenzenesulfonamide. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)-5-fluoro-2-methoxybenzenesulfonamide has 1 hydrogen bond donor(s) and 7 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)-5-fluoro-2-methoxybenzenesulfonamide?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)-5-fluoro-2-methoxybenzenesulfonamide is 691380-68-4.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-5-fluoro-2-methoxybenzenesulfonamide?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-5-fluoro-2-methoxybenzenesulfonamide is C15H14FNO5S.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-5-fluoro-2-methoxybenzenesulfonamide?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-5-fluoro-2-methoxybenzenesulfonamide is 339.06 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)-5-fluoro-2-methoxybenzenesulfonamide?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)-5-fluoro-2-methoxybenzenesulfonamide 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)-5-fluoro-2-methoxybenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)-5-fluoro-2-methoxybenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.