N-[2-(4-fluorophenyl)sulfonylethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide

C15H17FN4O3S — CID 155510027

IUPACN-[2-(4-fluorophenyl)sulfonylethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
SMILESO=C(NCCS(=O)(=O)c1ccc(F)cc1)C1CCc2ncnn2C1
InChIInChI=1S/C15H17FN4O3S/c16-12-2-4-13(5-3-12)24(22,23)8-7-17-15(21)11-1-6-14-18-10-19-20(14)9-11/h2-5,10-11H,1,6-9H2,(H,17,21)
InChIKeyFAFKJVZKAORLOO-UHFFFAOYSA-N
MW352.39 g/mol
LogP0.57
Rot. Bonds5

About N-[2-(4-fluorophenyl)sulfonylethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide

N-[2-(4-fluorophenyl)sulfonylethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide (PubChem CID 155510027) has the molecular formula C15H17FN4O3S and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)sulfonylethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)sulfonylethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
PubChem CID155510027
Molecular FormulaC15H17FN4O3S
Molecular Weight352.39 g/mol
Exact Mass352.10
IUPAC NameN-[2-(4-fluorophenyl)sulfonylethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
SMILESO=C(NCCS(=O)(=O)c1ccc(F)cc1)C1CCc2ncnn2C1
InChIInChI=1S/C15H17FN4O3S/c16-12-2-4-13(5-3-12)24(22,23)8-7-17-15(21)11-1-6-14-18-10-19-20(14)9-11/h2-5,10-11H,1,6-9H2,(H,17,21)
InChIKeyFAFKJVZKAORLOO-UHFFFAOYSA-N
XLogP0.57
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-1-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]-6-oxopiperidine-3-carboxamide
CID 97156286
1-acetyl-N-[2-(4-fluorophenyl)sulfonylethyl]piperidine-3-carboxamide
CID 72937364
N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 154571332
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 154565961
1-tert-butyl-N-[2-(4-fluorophenyl)sulfonylethyl]-5-oxopyrrolidine-3-carboxamide
CID 46978089
N-[2-(4-chlorophenyl)sulfonylethyl]piperidine-4-carboxamide
CID 119290590
N-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 133281602
N-[2-(4-fluorophenyl)sulfonylethyl]-2-[(2R)-morpholin-2-yl]acetamide
CID 99715935
N-[2-(4-fluorophenyl)sulfonylethyl]-2-morpholin-2-ylacetamide
CID 77088465
N-[2-(cyclohexanecarbonylamino)ethyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 55805767
N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 155913485
5-(4-fluorophenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)furan-2-carboxamide
CID 126767615

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)sulfonylethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)sulfonylethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide (CID 155510027) is N-[2-(4-fluorophenyl)sulfonylethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)sulfonylethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)sulfonylethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide is O=C(NCCS(=O)(=O)c1ccc(F)cc1)C1CCc2ncnn2C1.
What is the InChIKey of N-[2-(4-fluorophenyl)sulfonylethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
The InChIKey is FAFKJVZKAORLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O3S/c16-12-2-4-13(5-3-12)24(22,23)8-7-17-15(21)11-1-6-14-18-10-19-20(14)9-11/h2-5,10-11H,1,6-9H2,(H,17,21).
What are the key properties of N-[2-(4-fluorophenyl)sulfonylethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
N-[2-(4-fluorophenyl)sulfonylethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)sulfonylethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide is sourced from PubChem (CID 155510027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).