4-fluoro-3-methoxy-N-(3-pyridinylmethyl)benzenesulfonamide
TL;DR: 4-fluoro-3-methoxy-N-(3-pyridinylmethyl)benzenesulfonamide (CAS 691380-71-9) is a chemical compound with molecular formula C13H13FN2O3S and molecular weight 296.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-fluoro-3-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
Also Known As: CBKinase1_005413, CBKinase1_017813, 4-fluoro-3-methoxy-N-(3-pyridinylmethyl)benzenesulfonamide, BRD-K46413179-001-01-9, [(4-fluoro-3-methoxyphenyl)sulfonyl](3-pyridylmethyl)amine
| Molecular Formula | C13H13FN2O3S |
|---|---|
| Molecular Weight | 296.06 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 296.06308 |
| Heavy Atoms | 20 |
| Complexity | 399.0 |
Chemical Identifiers
| CAS Number | 691380-71-9 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)S(=O)(=O)NCC2=CN=CC=C2)F |
| InChIKey | FSEAPDWFRMEECG-UHFFFAOYSA-N |
Product Overview
4-fluoro-3-methoxy-N-(3-pyridinylmethyl)benzenesulfonamide (CAS 691380-71-9), with molecular formula C13H13FN2O3S and molecular weight 296.06 g/mol. IUPAC: 4-fluoro-3-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide.
Chemical Property Profile of 4-fluoro-3-methoxy-N-(3-pyridinylmethyl)benzenesulfonamide
Property Insights of 4-fluoro-3-methoxy-N-(3-pyridinylmethyl)benzenesulfonamide
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-fluoro-3-methoxy-N-(3-pyridinylmethyl)benzenesulfonamide. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-fluoro-3-methoxy-N-(3-pyridinylmethyl)benzenesulfonamide. Following Lipinski's Rule of Five, 4-fluoro-3-methoxy-N-(3-pyridinylmethyl)benzenesulfonamide has 1 hydrogen bond donor(s) and 6 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-fluoro-3-methoxy-N-(3-pyridinylmethyl)benzenesulfonamide?
The CAS number of 4-fluoro-3-methoxy-N-(3-pyridinylmethyl)benzenesulfonamide is 691380-71-9.
What is the molecular formula of 4-fluoro-3-methoxy-N-(3-pyridinylmethyl)benzenesulfonamide?
The molecular formula of 4-fluoro-3-methoxy-N-(3-pyridinylmethyl)benzenesulfonamide is C13H13FN2O3S.
What is the molecular weight of 4-fluoro-3-methoxy-N-(3-pyridinylmethyl)benzenesulfonamide?
The molecular weight of 4-fluoro-3-methoxy-N-(3-pyridinylmethyl)benzenesulfonamide is 296.06 g/mol.
Where can I buy 4-fluoro-3-methoxy-N-(3-pyridinylmethyl)benzenesulfonamide?
You can request a quote for 4-fluoro-3-methoxy-N-(3-pyridinylmethyl)benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-fluoro-3-methoxy-N-(3-pyridinylmethyl)benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-fluoro-3-methoxy-N-(3-pyridinylmethyl)benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.