2-(4-ethyl-1,2,4-triazol-3-yl)-1-(2-fluorophenyl)sulfonylpiperidine

C15H19FN4O2S — CID 87052122

IUPAC2-(4-ethyl-1,2,4-triazol-3-yl)-1-(2-fluorophenyl)sulfonylpiperidine
SMILESCCn1cnnc1C1CCCCN1S(=O)(=O)c1ccccc1F
InChIInChI=1S/C15H19FN4O2S/c1-2-19-11-17-18-15(19)13-8-5-6-10-20(13)23(21,22)14-9-4-3-7-12(14)16/h3-4,7,9,11,13H,2,5-6,8,10H2,1H3
InChIKeySSHDCSVVYFBIPD-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.35
Rot. Bonds4

About 2-(4-ethyl-1,2,4-triazol-3-yl)-1-(2-fluorophenyl)sulfonylpiperidine

2-(4-ethyl-1,2,4-triazol-3-yl)-1-(2-fluorophenyl)sulfonylpiperidine (PubChem CID 87052122) has the molecular formula C15H19FN4O2S and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-(4-ethyl-1,2,4-triazol-3-yl)-1-(2-fluorophenyl)sulfonylpiperidine.

Molecular Properties

Compound Name2-(4-ethyl-1,2,4-triazol-3-yl)-1-(2-fluorophenyl)sulfonylpiperidine
PubChem CID87052122
Molecular FormulaC15H19FN4O2S
Molecular Weight338.41 g/mol
Exact Mass338.12
IUPAC Name2-(4-ethyl-1,2,4-triazol-3-yl)-1-(2-fluorophenyl)sulfonylpiperidine
SMILESCCn1cnnc1C1CCCCN1S(=O)(=O)c1ccccc1F
InChIInChI=1S/C15H19FN4O2S/c1-2-19-11-17-18-15(19)13-8-5-6-10-20(13)23(21,22)14-9-4-3-7-12(14)16/h3-4,7,9,11,13H,2,5-6,8,10H2,1H3
InChIKeySSHDCSVVYFBIPD-UHFFFAOYSA-N
XLogP2.35
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-ethyl-1,2,4-triazol-3-yl)-1-(2-fluorophenyl)sulfonylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-fluorophenyl)sulfonyl-2-propylpiperidine
CID 83052559
(2S)-1-(2-fluorophenyl)sulfonyl-2-(4-methylphenyl)azepane
CID 95079257
2-(bromomethyl)-1-(2-fluorophenyl)sulfonylazepane
CID 116639734
1-(2-fluorophenyl)sulfonyl-2-(4-methoxyphenyl)azepane
CID 53096243
3-ethyl-5-[(2R)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole
CID 92894196
(2R)-1-(2-fluorophenyl)sulfonyl-2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine
CID 129487538
3-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]sulfonylpyridine
CID 87052217
4-[(2S)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]pyrimidine
CID 124967389
2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-(1-methylimidazol-4-yl)sulfonylpiperidine
CID 87052218
1-(2-fluorophenyl)sulfonyl-2,3-dimethylpiperidine
CID 62122855
2-cyclohexyl-1-(2-fluorophenyl)sulfonylpyrrolidine
CID 61045786
4-[[3-[(2S)-1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-2-yl]-1,2,4-triazol-4-yl]methyl]pyridine
CID 164640992

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-1,2,4-triazol-3-yl)-1-(2-fluorophenyl)sulfonylpiperidine?
The IUPAC name of 2-(4-ethyl-1,2,4-triazol-3-yl)-1-(2-fluorophenyl)sulfonylpiperidine (CID 87052122) is 2-(4-ethyl-1,2,4-triazol-3-yl)-1-(2-fluorophenyl)sulfonylpiperidine.
What is the SMILES notation for 2-(4-ethyl-1,2,4-triazol-3-yl)-1-(2-fluorophenyl)sulfonylpiperidine?
The canonical SMILES for 2-(4-ethyl-1,2,4-triazol-3-yl)-1-(2-fluorophenyl)sulfonylpiperidine is CCn1cnnc1C1CCCCN1S(=O)(=O)c1ccccc1F.
What is the InChIKey of 2-(4-ethyl-1,2,4-triazol-3-yl)-1-(2-fluorophenyl)sulfonylpiperidine?
The InChIKey is SSHDCSVVYFBIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O2S/c1-2-19-11-17-18-15(19)13-8-5-6-10-20(13)23(21,22)14-9-4-3-7-12(14)16/h3-4,7,9,11,13H,2,5-6,8,10H2,1H3.
What are the key properties of 2-(4-ethyl-1,2,4-triazol-3-yl)-1-(2-fluorophenyl)sulfonylpiperidine?
2-(4-ethyl-1,2,4-triazol-3-yl)-1-(2-fluorophenyl)sulfonylpiperidine has a molecular weight of 338.41 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-1,2,4-triazol-3-yl)-1-(2-fluorophenyl)sulfonylpiperidine is sourced from PubChem (CID 87052122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).