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

C14H11F3N4O2S — CID 53166639

IUPACN-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-2-(trifluoromethyl)benzenesulfonamide
SMILESCc1nnc2c(NS(=O)(=O)c3ccccc3C(F)(F)F)cccn12
InChIInChI=1S/C14H11F3N4O2S/c1-9-18-19-13-11(6-4-8-21(9)13)20-24(22,23)12-7-3-2-5-10(12)14(15,16)17/h2-8,20H,1H3
InChIKeyCPTJNTCCUXEPPC-UHFFFAOYSA-N
MW356.33 g/mol
LogP2.86
Rot. Bonds3

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

N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 53166639) has the molecular formula C14H11F3N4O2S and a molecular weight of 356.33 g/mol. Its IUPAC name is N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID53166639
Molecular FormulaC14H11F3N4O2S
Molecular Weight356.33 g/mol
Exact Mass356.06
IUPAC NameN-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-2-(trifluoromethyl)benzenesulfonamide
SMILESCc1nnc2c(NS(=O)(=O)c3ccccc3C(F)(F)F)cccn12
InChIInChI=1S/C14H11F3N4O2S/c1-9-18-19-13-11(6-4-8-21(9)13)20-24(22,23)12-7-3-2-5-10(12)14(15,16)17/h2-8,20H,1H3
InChIKeyCPTJNTCCUXEPPC-UHFFFAOYSA-N
XLogP2.86
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-2-(trifluoromethyl)benzenesulfonamide (CID 53166639) is N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-2-(trifluoromethyl)benzenesulfonamide is Cc1nnc2c(NS(=O)(=O)c3ccccc3C(F)(F)F)cccn12.
What is the InChIKey of N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is CPTJNTCCUXEPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4O2S/c1-9-18-19-13-11(6-4-8-21(9)13)20-24(22,23)12-7-3-2-5-10(12)14(15,16)17/h2-8,20H,1H3.
What are the key properties of N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-2-(trifluoromethyl)benzenesulfonamide?
N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 356.33 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 53166639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).