5-fluoro-2-methoxy-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)benzenesulfonamide

C15H14FN3O3S — CID 71790786

IUPAC5-fluoro-2-methoxy-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)NCc1cnn2ccccc12
InChIInChI=1S/C15H14FN3O3S/c1-22-14-6-5-12(16)8-15(14)23(20,21)18-10-11-9-17-19-7-3-2-4-13(11)19/h2-9,18H,10H2,1H3
InChIKeyXEHNFGIJPCVJJQ-UHFFFAOYSA-N
MW335.36 g/mol
LogP1.96
Rot. Bonds5

About 5-fluoro-2-methoxy-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)benzenesulfonamide

5-fluoro-2-methoxy-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)benzenesulfonamide (PubChem CID 71790786) has the molecular formula C15H14FN3O3S and a molecular weight of 335.36 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-2-methoxy-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)benzenesulfonamide
PubChem CID71790786
Molecular FormulaC15H14FN3O3S
Molecular Weight335.36 g/mol
Exact Mass335.07
IUPAC Name5-fluoro-2-methoxy-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)NCc1cnn2ccccc12
InChIInChI=1S/C15H14FN3O3S/c1-22-14-6-5-12(16)8-15(14)23(20,21)18-10-11-9-17-19-7-3-2-4-13(11)19/h2-9,18H,10H2,1H3
InChIKeyXEHNFGIJPCVJJQ-UHFFFAOYSA-N
XLogP1.96
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 5-fluoro-2-methoxy-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)benzenesulfonamide (CID 71790786) is 5-fluoro-2-methoxy-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 5-fluoro-2-methoxy-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 5-fluoro-2-methoxy-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)benzenesulfonamide is COc1ccc(F)cc1S(=O)(=O)NCc1cnn2ccccc12.
What is the InChIKey of 5-fluoro-2-methoxy-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)benzenesulfonamide?
The InChIKey is XEHNFGIJPCVJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O3S/c1-22-14-6-5-12(16)8-15(14)23(20,21)18-10-11-9-17-19-7-3-2-4-13(11)19/h2-9,18H,10H2,1H3.
What are the key properties of 5-fluoro-2-methoxy-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)benzenesulfonamide?
5-fluoro-2-methoxy-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)benzenesulfonamide has a molecular weight of 335.36 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 71790786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).