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

C21H20N4O2S — CID 155535106

IUPACN-[3-methyl-6-(2-phenylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(-c2ccccc2-c2ccccc2)cn2c(C)nnc12
InChIInChI=1S/C21H20N4O2S/c1-3-28(26,27)24-20-13-17(14-25-15(2)22-23-21(20)25)19-12-8-7-11-18(19)16-9-5-4-6-10-16/h4-14,24H,3H2,1-2H3
InChIKeyOGHCJQIKWSOFCT-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.13
Rot. Bonds5

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

N-[3-methyl-6-(2-phenylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanesulfonamide (PubChem CID 155535106) has the molecular formula C21H20N4O2S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[3-methyl-6-(2-phenylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-methyl-6-(2-phenylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanesulfonamide
PubChem CID155535106
Molecular FormulaC21H20N4O2S
Molecular Weight392.48 g/mol
Exact Mass392.13
IUPAC NameN-[3-methyl-6-(2-phenylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(-c2ccccc2-c2ccccc2)cn2c(C)nnc12
InChIInChI=1S/C21H20N4O2S/c1-3-28(26,27)24-20-13-17(14-25-15(2)22-23-21(20)25)19-12-8-7-11-18(19)16-9-5-4-6-10-16/h4-14,24H,3H2,1-2H3
InChIKeyOGHCJQIKWSOFCT-UHFFFAOYSA-N
XLogP4.13
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.13
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-phenylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanesulfonamide?
The IUPAC name of N-[3-methyl-6-(2-phenylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanesulfonamide (CID 155535106) is N-[3-methyl-6-(2-phenylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanesulfonamide.
What is the SMILES notation for N-[3-methyl-6-(2-phenylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanesulfonamide?
The canonical SMILES for N-[3-methyl-6-(2-phenylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanesulfonamide is CCS(=O)(=O)Nc1cc(-c2ccccc2-c2ccccc2)cn2c(C)nnc12.
What is the InChIKey of N-[3-methyl-6-(2-phenylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanesulfonamide?
The InChIKey is OGHCJQIKWSOFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S/c1-3-28(26,27)24-20-13-17(14-25-15(2)22-23-21(20)25)19-12-8-7-11-18(19)16-9-5-4-6-10-16/h4-14,24H,3H2,1-2H3.
What are the key properties of N-[3-methyl-6-(2-phenylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanesulfonamide?
N-[3-methyl-6-(2-phenylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanesulfonamide has a molecular weight of 392.48 g/mol, XLogP of 4.13, 5 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-phenylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanesulfonamide is sourced from PubChem (CID 155535106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).