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

C15H19FN4O2S — CID 91905014

IUPAC4-(3-ethyl-1,2,4-triazol-4-yl)-1-(4-fluorophenyl)sulfonylpiperidine
SMILESCCc1nncn1C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C15H19FN4O2S/c1-2-15-18-17-11-20(15)13-7-9-19(10-8-13)23(21,22)14-5-3-12(16)4-6-14/h3-6,11,13H,2,7-10H2,1H3
InChIKeyQZZIGJFMZTVVQS-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.01
Rot. Bonds4

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

4-(3-ethyl-1,2,4-triazol-4-yl)-1-(4-fluorophenyl)sulfonylpiperidine (PubChem CID 91905014) has the molecular formula C15H19FN4O2S and a molecular weight of 338.41 g/mol. Its IUPAC name is 4-(3-ethyl-1,2,4-triazol-4-yl)-1-(4-fluorophenyl)sulfonylpiperidine.

Molecular Properties

Compound Name4-(3-ethyl-1,2,4-triazol-4-yl)-1-(4-fluorophenyl)sulfonylpiperidine
PubChem CID91905014
Molecular FormulaC15H19FN4O2S
Molecular Weight338.41 g/mol
Exact Mass338.12
IUPAC Name4-(3-ethyl-1,2,4-triazol-4-yl)-1-(4-fluorophenyl)sulfonylpiperidine
SMILESCCc1nncn1C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C15H19FN4O2S/c1-2-15-18-17-11-20(15)13-7-9-19(10-8-13)23(21,22)14-5-3-12(16)4-6-14/h3-6,11,13H,2,7-10H2,1H3
InChIKeyQZZIGJFMZTVVQS-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-1,2,4-triazol-4-yl)-1-(4-fluorophenyl)sulfonylpiperidine?
The IUPAC name of 4-(3-ethyl-1,2,4-triazol-4-yl)-1-(4-fluorophenyl)sulfonylpiperidine (CID 91905014) is 4-(3-ethyl-1,2,4-triazol-4-yl)-1-(4-fluorophenyl)sulfonylpiperidine.
What is the SMILES notation for 4-(3-ethyl-1,2,4-triazol-4-yl)-1-(4-fluorophenyl)sulfonylpiperidine?
The canonical SMILES for 4-(3-ethyl-1,2,4-triazol-4-yl)-1-(4-fluorophenyl)sulfonylpiperidine is CCc1nncn1C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 4-(3-ethyl-1,2,4-triazol-4-yl)-1-(4-fluorophenyl)sulfonylpiperidine?
The InChIKey is QZZIGJFMZTVVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O2S/c1-2-15-18-17-11-20(15)13-7-9-19(10-8-13)23(21,22)14-5-3-12(16)4-6-14/h3-6,11,13H,2,7-10H2,1H3.
What are the key properties of 4-(3-ethyl-1,2,4-triazol-4-yl)-1-(4-fluorophenyl)sulfonylpiperidine?
4-(3-ethyl-1,2,4-triazol-4-yl)-1-(4-fluorophenyl)sulfonylpiperidine has a molecular weight of 338.41 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-1,2,4-triazol-4-yl)-1-(4-fluorophenyl)sulfonylpiperidine is sourced from PubChem (CID 91905014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).