2,4-difluoro-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)benzenesulfonamide

C12H8F2N4O2S — CID 75399965

IUPAC2,4-difluoro-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2nncn2c1)c1ccc(F)cc1F
InChIInChI=1S/C12H8F2N4O2S/c13-8-1-3-11(10(14)5-8)21(19,20)17-9-2-4-12-16-15-7-18(12)6-9/h1-7,17H
InChIKeyALPMDUYOMMAMKJ-UHFFFAOYSA-N
MW310.29 g/mol
LogP1.81
Rot. Bonds3

About 2,4-difluoro-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)benzenesulfonamide

2,4-difluoro-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)benzenesulfonamide (PubChem CID 75399965) has the molecular formula C12H8F2N4O2S and a molecular weight of 310.29 g/mol. Its IUPAC name is 2,4-difluoro-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)benzenesulfonamide
PubChem CID75399965
Molecular FormulaC12H8F2N4O2S
Molecular Weight310.29 g/mol
Exact Mass310.03
IUPAC Name2,4-difluoro-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2nncn2c1)c1ccc(F)cc1F
InChIInChI=1S/C12H8F2N4O2S/c13-8-1-3-11(10(14)5-8)21(19,20)17-9-2-4-12-16-15-7-18(12)6-9/h1-7,17H
InChIKeyALPMDUYOMMAMKJ-UHFFFAOYSA-N
XLogP1.81
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.29
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)benzenesulfonamide (CID 75399965) is 2,4-difluoro-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)benzenesulfonamide is O=S(=O)(Nc1ccc2nncn2c1)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)benzenesulfonamide?
The InChIKey is ALPMDUYOMMAMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N4O2S/c13-8-1-3-11(10(14)5-8)21(19,20)17-9-2-4-12-16-15-7-18(12)6-9/h1-7,17H.
What are the key properties of 2,4-difluoro-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)benzenesulfonamide?
2,4-difluoro-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)benzenesulfonamide has a molecular weight of 310.29 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)benzenesulfonamide is sourced from PubChem (CID 75399965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).