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

C13H9F3N4O2S — CID 53166622

IUPACN-([1,2,4]triazolo[4,3-a]pyridin-8-yl)-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccn2cnnc12)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H9F3N4O2S/c14-13(15,16)9-4-1-2-6-11(9)23(21,22)19-10-5-3-7-20-8-17-18-12(10)20/h1-8,19H
InChIKeyNHDNHYYZQFUPQB-UHFFFAOYSA-N
MW342.30 g/mol
LogP2.55
Rot. Bonds3

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

N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 53166622) has the molecular formula C13H9F3N4O2S and a molecular weight of 342.30 g/mol. Its IUPAC name is N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-([1,2,4]triazolo[4,3-a]pyridin-8-yl)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID53166622
Molecular FormulaC13H9F3N4O2S
Molecular Weight342.30 g/mol
Exact Mass342.04
IUPAC NameN-([1,2,4]triazolo[4,3-a]pyridin-8-yl)-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccn2cnnc12)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H9F3N4O2S/c14-13(15,16)9-4-1-2-6-11(9)23(21,22)19-10-5-3-7-20-8-17-18-12(10)20/h1-8,19H
InChIKeyNHDNHYYZQFUPQB-UHFFFAOYSA-N
XLogP2.55
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)-2-(trifluoromethyl)benzenesulfonamide (CID 53166622) is N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)-2-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1cccn2cnnc12)c1ccccc1C(F)(F)F.
What is the InChIKey of N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is NHDNHYYZQFUPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N4O2S/c14-13(15,16)9-4-1-2-6-11(9)23(21,22)19-10-5-3-7-20-8-17-18-12(10)20/h1-8,19H.
What are the key properties of N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)-2-(trifluoromethyl)benzenesulfonamide?
N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 342.30 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 53166622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).