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

C14H11F3N4O2S — CID 86978022

IUPACN-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1nnc2ccccn12)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H11F3N4O2S/c15-14(16,17)10-5-1-2-6-11(10)24(22,23)18-9-13-20-19-12-7-3-4-8-21(12)13/h1-8,18H,9H2
InChIKeyTXQITSRRAPAXCG-UHFFFAOYSA-N
MW356.33 g/mol
LogP2.23
Rot. Bonds4

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

N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 86978022) has the molecular formula C14H11F3N4O2S and a molecular weight of 356.33 g/mol. Its IUPAC name is N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID86978022
Molecular FormulaC14H11F3N4O2S
Molecular Weight356.33 g/mol
Exact Mass356.06
IUPAC NameN-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1nnc2ccccn12)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H11F3N4O2S/c15-14(16,17)10-5-1-2-6-11(10)24(22,23)18-9-13-20-19-12-7-3-4-8-21(12)13/h1-8,18H,9H2
InChIKeyTXQITSRRAPAXCG-UHFFFAOYSA-N
XLogP2.23
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 61248732
4-bromo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzenesulfonamide
CID 60652284
2,4,6-trimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzenesulfonamide
CID 86978007
2,3-dimethyl-5-nitro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzenesulfonamide
CID 78820851
N-ethyl-2-(trifluoromethyl)benzenesulfonamide
CID 43212836
N-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 16809052
2-(aminomethyl)-2-ethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide
CID 115432363
2-methylsulfonyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 31307812
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 36570519
(2S)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 51943795
(E)-2-(4-chlorophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethenesulfonamide
CID 78797891
3-(benzylsulfamoyl)-4-chloro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 42279005

Frequently Asked Questions

What is the IUPAC name of N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide (CID 86978022) is N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NCc1nnc2ccccn12)c1ccccc1C(F)(F)F.
What is the InChIKey of N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is TXQITSRRAPAXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4O2S/c15-14(16,17)10-5-1-2-6-11(10)24(22,23)18-9-13-20-19-12-7-3-4-8-21(12)13/h1-8,18H,9H2.
What are the key properties of N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide?
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 356.33 g/mol, XLogP of 2.23, 4 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-3-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 86978022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).