4-fluoro-3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)benzenesulfonamide

C13H11FN4O2S — CID 53166624

IUPAC4-fluoro-3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cccn3cnnc23)ccc1F
InChIInChI=1S/C13H11FN4O2S/c1-9-7-10(4-5-11(9)14)21(19,20)17-12-3-2-6-18-8-15-16-13(12)18/h2-8,17H,1H3
InChIKeyDKIHELGYKKQGBQ-UHFFFAOYSA-N
MW306.32 g/mol
LogP1.98
Rot. Bonds3

About 4-fluoro-3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)benzenesulfonamide

4-fluoro-3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)benzenesulfonamide (PubChem CID 53166624) has the molecular formula C13H11FN4O2S and a molecular weight of 306.32 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)benzenesulfonamide
PubChem CID53166624
Molecular FormulaC13H11FN4O2S
Molecular Weight306.32 g/mol
Exact Mass306.06
IUPAC Name4-fluoro-3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cccn3cnnc23)ccc1F
InChIInChI=1S/C13H11FN4O2S/c1-9-7-10(4-5-11(9)14)21(19,20)17-12-3-2-6-18-8-15-16-13(12)18/h2-8,17H,1H3
InChIKeyDKIHELGYKKQGBQ-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-3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)benzenesulfonamide?
The IUPAC name of 4-fluoro-3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)benzenesulfonamide (CID 53166624) is 4-fluoro-3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)benzenesulfonamide is Cc1cc(S(=O)(=O)Nc2cccn3cnnc23)ccc1F.
What is the InChIKey of 4-fluoro-3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)benzenesulfonamide?
The InChIKey is DKIHELGYKKQGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4O2S/c1-9-7-10(4-5-11(9)14)21(19,20)17-12-3-2-6-18-8-15-16-13(12)18/h2-8,17H,1H3.
What are the key properties of 4-fluoro-3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)benzenesulfonamide?
4-fluoro-3-methyl-N-([1,2,4]triazolo[4,3-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-3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)benzenesulfonamide is sourced from PubChem (CID 53166624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).