3-ethyl-N-(4-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide

C16H18N4O2S — CID 51042803

IUPAC3-ethyl-N-(4-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2cccn3c(CC)nnc23)cc1
InChIInChI=1S/C16H18N4O2S/c1-3-12-7-9-13(10-8-12)19-23(21,22)14-6-5-11-20-15(4-2)17-18-16(14)20/h5-11,19H,3-4H2,1-2H3
InChIKeyREKCQHUCTQAYAD-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.65
Rot. Bonds5

About 3-ethyl-N-(4-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide

3-ethyl-N-(4-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide (PubChem CID 51042803) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is 3-ethyl-N-(4-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide.

Molecular Properties

Compound Name3-ethyl-N-(4-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide
PubChem CID51042803
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name3-ethyl-N-(4-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2cccn3c(CC)nnc23)cc1
InChIInChI=1S/C16H18N4O2S/c1-3-12-7-9-13(10-8-12)19-23(21,22)14-6-5-11-20-15(4-2)17-18-16(14)20/h5-11,19H,3-4H2,1-2H3
InChIKeyREKCQHUCTQAYAD-UHFFFAOYSA-N
XLogP2.65
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethylphenyl)-2-methylsulfonylbenzenesulfonamide
CID 86920060
3-amino-1-ethyl-N-(4-ethylphenyl)pyrazole-4-sulfonamide
CID 60815181
N-(4-ethylphenyl)-1,3-dimethylpyrazole-4-sulfonamide
CID 22773854
4-ethyl-N-(4-iodophenyl)benzenesulfonamide
CID 1305687
5-amino-N-(4-ethylphenyl)-2-methylbenzenesulfonamide
CID 29285974
2-amino-N-(4-ethylphenyl)pyrimidine-5-sulfonamide
CID 62142790
N-(4-ethylphenyl)ethanesulfonamide
CID 896511
2-methylsulfonyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 55902750
5-amino-4-bromo-N-(4-ethylphenyl)-2-fluorobenzenesulfonamide
CID 116529396
N-(4-ethylphenyl)-3-[3-[(4-ethylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide
CID 160503977
N-(4-ethylphenyl)-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 171350897
1-(benzenesulfonyl)-N-(4-ethylphenyl)pyrrole-3-sulfonamide
CID 17247601

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(4-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide?
The IUPAC name of 3-ethyl-N-(4-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide (CID 51042803) is 3-ethyl-N-(4-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide.
What is the SMILES notation for 3-ethyl-N-(4-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide?
The canonical SMILES for 3-ethyl-N-(4-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide is CCc1ccc(NS(=O)(=O)c2cccn3c(CC)nnc23)cc1.
What is the InChIKey of 3-ethyl-N-(4-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide?
The InChIKey is REKCQHUCTQAYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-3-12-7-9-13(10-8-12)19-23(21,22)14-6-5-11-20-15(4-2)17-18-16(14)20/h5-11,19H,3-4H2,1-2H3.
What are the key properties of 3-ethyl-N-(4-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide?
3-ethyl-N-(4-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide has a molecular weight of 330.41 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(4-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide is sourced from PubChem (CID 51042803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).