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

C13H11FN4O2S — CID 53190639

IUPAC4-fluoro-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide
SMILESCc1nc2c(NS(=O)(=O)c3ccc(F)cc3)cccn2n1
InChIInChI=1S/C13H11FN4O2S/c1-9-15-13-12(3-2-8-18(13)16-9)17-21(19,20)11-6-4-10(14)5-7-11/h2-8,17H,1H3
InChIKeyTWLAQXVYSVMEHO-UHFFFAOYSA-N
MW306.32 g/mol
LogP1.98
Rot. Bonds3

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

4-fluoro-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide (PubChem CID 53190639) has the molecular formula C13H11FN4O2S and a molecular weight of 306.32 g/mol. Its IUPAC name is 4-fluoro-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide
PubChem CID53190639
Molecular FormulaC13H11FN4O2S
Molecular Weight306.32 g/mol
Exact Mass306.06
IUPAC Name4-fluoro-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide
SMILESCc1nc2c(NS(=O)(=O)c3ccc(F)cc3)cccn2n1
InChIInChI=1S/C13H11FN4O2S/c1-9-15-13-12(3-2-8-18(13)16-9)17-21(19,20)11-6-4-10(14)5-7-11/h2-8,17H,1H3
InChIKeyTWLAQXVYSVMEHO-UHFFFAOYSA-N
XLogP1.98
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide (CID 53190639) is 4-fluoro-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide is Cc1nc2c(NS(=O)(=O)c3ccc(F)cc3)cccn2n1.
What is the InChIKey of 4-fluoro-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide?
The InChIKey is TWLAQXVYSVMEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4O2S/c1-9-15-13-12(3-2-8-18(13)16-9)17-21(19,20)11-6-4-10(14)5-7-11/h2-8,17H,1H3.
What are the key properties of 4-fluoro-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide?
4-fluoro-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide has a molecular weight of 306.32 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide is sourced from PubChem (CID 53190639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).