N-[3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanesulfonamide

C16H15F3N4O2S — CID 155551106

IUPACN-[3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(-c2ccccc2C(F)(F)F)cn2c(C)nnc12
InChIInChI=1S/C16H15F3N4O2S/c1-3-26(24,25)22-14-8-11(9-23-10(2)20-21-15(14)23)12-6-4-5-7-13(12)16(17,18)19/h4-9,22H,3H2,1-2H3
InChIKeyIVAHHAOVRAWFLX-UHFFFAOYSA-N
MW384.38 g/mol
LogP3.49
Rot. Bonds4

About N-[3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanesulfonamide

N-[3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanesulfonamide (PubChem CID 155551106) has the molecular formula C16H15F3N4O2S and a molecular weight of 384.38 g/mol. Its IUPAC name is N-[3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanesulfonamide
PubChem CID155551106
Molecular FormulaC16H15F3N4O2S
Molecular Weight384.38 g/mol
Exact Mass384.09
IUPAC NameN-[3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(-c2ccccc2C(F)(F)F)cn2c(C)nnc12
InChIInChI=1S/C16H15F3N4O2S/c1-3-26(24,25)22-14-8-11(9-23-10(2)20-21-15(14)23)12-6-4-5-7-13(12)16(17,18)19/h4-9,22H,3H2,1-2H3
InChIKeyIVAHHAOVRAWFLX-UHFFFAOYSA-N
XLogP3.49
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanesulfonamide?
The IUPAC name of N-[3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanesulfonamide (CID 155551106) is N-[3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanesulfonamide.
What is the SMILES notation for N-[3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanesulfonamide?
The canonical SMILES for N-[3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanesulfonamide is CCS(=O)(=O)Nc1cc(-c2ccccc2C(F)(F)F)cn2c(C)nnc12.
What is the InChIKey of N-[3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanesulfonamide?
The InChIKey is IVAHHAOVRAWFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O2S/c1-3-26(24,25)22-14-8-11(9-23-10(2)20-21-15(14)23)12-6-4-5-7-13(12)16(17,18)19/h4-9,22H,3H2,1-2H3.
What are the key properties of N-[3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanesulfonamide?
N-[3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanesulfonamide has a molecular weight of 384.38 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanesulfonamide is sourced from PubChem (CID 155551106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).