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

C12H9ClN4O2S — CID 1473700

IUPAC2-chloro-N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccn2ncnc12)c1ccccc1Cl
InChIInChI=1S/C12H9ClN4O2S/c13-9-4-1-2-6-11(9)20(18,19)16-10-5-3-7-17-12(10)14-8-15-17/h1-8,16H
InChIKeyKPUSVGQYRUVHRN-UHFFFAOYSA-N
MW308.75 g/mol
LogP2.18
Rot. Bonds3

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

2-chloro-N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide (PubChem CID 1473700) has the molecular formula C12H9ClN4O2S and a molecular weight of 308.75 g/mol. Its IUPAC name is 2-chloro-N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide
PubChem CID1473700
Molecular FormulaC12H9ClN4O2S
Molecular Weight308.75 g/mol
Exact Mass308.01
IUPAC Name2-chloro-N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccn2ncnc12)c1ccccc1Cl
InChIInChI=1S/C12H9ClN4O2S/c13-9-4-1-2-6-11(9)20(18,19)16-10-5-3-7-17-12(10)14-8-15-17/h1-8,16H
InChIKeyKPUSVGQYRUVHRN-UHFFFAOYSA-N
XLogP2.18
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.75
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide (CID 1473700) is 2-chloro-N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide is O=S(=O)(Nc1cccn2ncnc12)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide?
The InChIKey is KPUSVGQYRUVHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4O2S/c13-9-4-1-2-6-11(9)20(18,19)16-10-5-3-7-17-12(10)14-8-15-17/h1-8,16H.
What are the key properties of 2-chloro-N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide?
2-chloro-N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide has a molecular weight of 308.75 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide is sourced from PubChem (CID 1473700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).