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

C15H19FN4O2S — CID 87052124

IUPAC2-(4-ethyl-1,2,4-triazol-3-yl)-1-(3-fluorophenyl)sulfonylpiperidine
SMILESCCn1cnnc1C1CCCCN1S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C15H19FN4O2S/c1-2-19-11-17-18-15(19)14-8-3-4-9-20(14)23(21,22)13-7-5-6-12(16)10-13/h5-7,10-11,14H,2-4,8-9H2,1H3
InChIKeyINSVDOLKEIQKSG-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.35
Rot. Bonds4

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

2-(4-ethyl-1,2,4-triazol-3-yl)-1-(3-fluorophenyl)sulfonylpiperidine (PubChem CID 87052124) 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-(3-fluorophenyl)sulfonylpiperidine.

Molecular Properties

Compound Name2-(4-ethyl-1,2,4-triazol-3-yl)-1-(3-fluorophenyl)sulfonylpiperidine
PubChem CID87052124
Molecular FormulaC15H19FN4O2S
Molecular Weight338.41 g/mol
Exact Mass338.12
IUPAC Name2-(4-ethyl-1,2,4-triazol-3-yl)-1-(3-fluorophenyl)sulfonylpiperidine
SMILESCCn1cnnc1C1CCCCN1S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C15H19FN4O2S/c1-2-19-11-17-18-15(19)14-8-3-4-9-20(14)23(21,22)13-7-5-6-12(16)10-13/h5-7,10-11,14H,2-4,8-9H2,1H3
InChIKeyINSVDOLKEIQKSG-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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-1,2,4-triazol-3-yl)-1-(3-fluorophenyl)sulfonylpiperidine?
The IUPAC name of 2-(4-ethyl-1,2,4-triazol-3-yl)-1-(3-fluorophenyl)sulfonylpiperidine (CID 87052124) is 2-(4-ethyl-1,2,4-triazol-3-yl)-1-(3-fluorophenyl)sulfonylpiperidine.
What is the SMILES notation for 2-(4-ethyl-1,2,4-triazol-3-yl)-1-(3-fluorophenyl)sulfonylpiperidine?
The canonical SMILES for 2-(4-ethyl-1,2,4-triazol-3-yl)-1-(3-fluorophenyl)sulfonylpiperidine is CCn1cnnc1C1CCCCN1S(=O)(=O)c1cccc(F)c1.
What is the InChIKey of 2-(4-ethyl-1,2,4-triazol-3-yl)-1-(3-fluorophenyl)sulfonylpiperidine?
The InChIKey is INSVDOLKEIQKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O2S/c1-2-19-11-17-18-15(19)14-8-3-4-9-20(14)23(21,22)13-7-5-6-12(16)10-13/h5-7,10-11,14H,2-4,8-9H2,1H3.
What are the key properties of 2-(4-ethyl-1,2,4-triazol-3-yl)-1-(3-fluorophenyl)sulfonylpiperidine?
2-(4-ethyl-1,2,4-triazol-3-yl)-1-(3-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-(3-fluorophenyl)sulfonylpiperidine is sourced from PubChem (CID 87052124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).