4-fluoro-N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide

C12H9FN4O2S — CID 53190708

IUPAC4-fluoro-N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccn2ncnc12)c1ccc(F)cc1
InChIInChI=1S/C12H9FN4O2S/c13-9-3-5-10(6-4-9)20(18,19)16-11-2-1-7-17-12(11)14-8-15-17/h1-8,16H
InChIKeyVXNYKESIGKICOB-UHFFFAOYSA-N
MW292.30 g/mol
LogP1.67
Rot. Bonds3

About 4-fluoro-N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide

4-fluoro-N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide (PubChem CID 53190708) has the molecular formula C12H9FN4O2S and a molecular weight of 292.30 g/mol. Its IUPAC name is 4-fluoro-N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide
PubChem CID53190708
Molecular FormulaC12H9FN4O2S
Molecular Weight292.30 g/mol
Exact Mass292.04
IUPAC Name4-fluoro-N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccn2ncnc12)c1ccc(F)cc1
InChIInChI=1S/C12H9FN4O2S/c13-9-3-5-10(6-4-9)20(18,19)16-11-2-1-7-17-12(11)14-8-15-17/h1-8,16H
InChIKeyVXNYKESIGKICOB-UHFFFAOYSA-N
XLogP1.67
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide (CID 53190708) is 4-fluoro-N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide is O=S(=O)(Nc1cccn2ncnc12)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide?
The InChIKey is VXNYKESIGKICOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4O2S/c13-9-3-5-10(6-4-9)20(18,19)16-11-2-1-7-17-12(11)14-8-15-17/h1-8,16H.
What are the key properties of 4-fluoro-N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide?
4-fluoro-N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide has a molecular weight of 292.30 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide is sourced from PubChem (CID 53190708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).