1-[4-(difluoromethylsulfonyl)phenyl]-4-(1,2,4-triazol-1-yl)piperidine

C14H16F2N4O2S — CID 56788011

IUPAC1-[4-(difluoromethylsulfonyl)phenyl]-4-(1,2,4-triazol-1-yl)piperidine
SMILESO=S(=O)(c1ccc(N2CCC(n3cncn3)CC2)cc1)C(F)F
InChIInChI=1S/C14H16F2N4O2S/c15-14(16)23(21,22)13-3-1-11(2-4-13)19-7-5-12(6-8-19)20-10-17-9-18-20/h1-4,9-10,12,14H,5-8H2
InChIKeyWOMBOUIFTMQUQS-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.12
Rot. Bonds4

About 1-[4-(difluoromethylsulfonyl)phenyl]-4-(1,2,4-triazol-1-yl)piperidine

1-[4-(difluoromethylsulfonyl)phenyl]-4-(1,2,4-triazol-1-yl)piperidine (PubChem CID 56788011) has the molecular formula C14H16F2N4O2S and a molecular weight of 342.37 g/mol. Its IUPAC name is 1-[4-(difluoromethylsulfonyl)phenyl]-4-(1,2,4-triazol-1-yl)piperidine.

Molecular Properties

Compound Name1-[4-(difluoromethylsulfonyl)phenyl]-4-(1,2,4-triazol-1-yl)piperidine
PubChem CID56788011
Molecular FormulaC14H16F2N4O2S
Molecular Weight342.37 g/mol
Exact Mass342.10
IUPAC Name1-[4-(difluoromethylsulfonyl)phenyl]-4-(1,2,4-triazol-1-yl)piperidine
SMILESO=S(=O)(c1ccc(N2CCC(n3cncn3)CC2)cc1)C(F)F
InChIInChI=1S/C14H16F2N4O2S/c15-14(16)23(21,22)13-3-1-11(2-4-13)19-7-5-12(6-8-19)20-10-17-9-18-20/h1-4,9-10,12,14H,5-8H2
InChIKeyWOMBOUIFTMQUQS-UHFFFAOYSA-N
XLogP2.12
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethylsulfonyl)phenyl]-4-(1,2,4-triazol-1-yl)piperidine?
The IUPAC name of 1-[4-(difluoromethylsulfonyl)phenyl]-4-(1,2,4-triazol-1-yl)piperidine (CID 56788011) is 1-[4-(difluoromethylsulfonyl)phenyl]-4-(1,2,4-triazol-1-yl)piperidine.
What is the SMILES notation for 1-[4-(difluoromethylsulfonyl)phenyl]-4-(1,2,4-triazol-1-yl)piperidine?
The canonical SMILES for 1-[4-(difluoromethylsulfonyl)phenyl]-4-(1,2,4-triazol-1-yl)piperidine is O=S(=O)(c1ccc(N2CCC(n3cncn3)CC2)cc1)C(F)F.
What is the InChIKey of 1-[4-(difluoromethylsulfonyl)phenyl]-4-(1,2,4-triazol-1-yl)piperidine?
The InChIKey is WOMBOUIFTMQUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4O2S/c15-14(16)23(21,22)13-3-1-11(2-4-13)19-7-5-12(6-8-19)20-10-17-9-18-20/h1-4,9-10,12,14H,5-8H2.
What are the key properties of 1-[4-(difluoromethylsulfonyl)phenyl]-4-(1,2,4-triazol-1-yl)piperidine?
1-[4-(difluoromethylsulfonyl)phenyl]-4-(1,2,4-triazol-1-yl)piperidine has a molecular weight of 342.37 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethylsulfonyl)phenyl]-4-(1,2,4-triazol-1-yl)piperidine is sourced from PubChem (CID 56788011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).