1-(4-fluorophenyl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine

C15H19FN4O2S — CID 91919494

IUPAC1-(4-fluorophenyl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine
SMILESCn1cnnc1CC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C15H19FN4O2S/c1-19-11-17-18-15(19)10-12-6-8-20(9-7-12)23(21,22)14-4-2-13(16)3-5-14/h2-5,11-12H,6-10H2,1H3
InChIKeyHSZJDIUUDOVFOK-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.60
Rot. Bonds4

About 1-(4-fluorophenyl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine

1-(4-fluorophenyl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine (PubChem CID 91919494) has the molecular formula C15H19FN4O2S and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine
PubChem CID91919494
Molecular FormulaC15H19FN4O2S
Molecular Weight338.41 g/mol
Exact Mass338.12
IUPAC Name1-(4-fluorophenyl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine
SMILESCn1cnnc1CC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C15H19FN4O2S/c1-19-11-17-18-15(19)10-12-6-8-20(9-7-12)23(21,22)14-4-2-13(16)3-5-14/h2-5,11-12H,6-10H2,1H3
InChIKeyHSZJDIUUDOVFOK-UHFFFAOYSA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine (CID 91919494) is 1-(4-fluorophenyl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine is Cn1cnnc1CC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine?
The InChIKey is HSZJDIUUDOVFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O2S/c1-19-11-17-18-15(19)10-12-6-8-20(9-7-12)23(21,22)14-4-2-13(16)3-5-14/h2-5,11-12H,6-10H2,1H3.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine?
1-(4-fluorophenyl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine has a molecular weight of 338.41 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine is sourced from PubChem (CID 91919494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).