4,4-difluoro-1-(1H-pyrazol-5-ylsulfonyl)piperidine

C8H11F2N3O2S — CID 155952046

IUPAC4,4-difluoro-1-(1H-pyrazol-5-ylsulfonyl)piperidine
SMILESO=S(=O)(c1ccn[nH]1)N1CCC(F)(F)CC1
InChIInChI=1S/C8H11F2N3O2S/c9-8(10)2-5-13(6-3-8)16(14,15)7-1-4-11-12-7/h1,4H,2-3,5-6H2,(H,11,12)
InChIKeyAEFXDBNRIBIANA-UHFFFAOYSA-N
MW251.26 g/mol
LogP0.83
Rot. Bonds2

About 4,4-difluoro-1-(1H-pyrazol-5-ylsulfonyl)piperidine

4,4-difluoro-1-(1H-pyrazol-5-ylsulfonyl)piperidine (PubChem CID 155952046) has the molecular formula C8H11F2N3O2S and a molecular weight of 251.26 g/mol. Its IUPAC name is 4,4-difluoro-1-(1H-pyrazol-5-ylsulfonyl)piperidine.

Molecular Properties

Compound Name4,4-difluoro-1-(1H-pyrazol-5-ylsulfonyl)piperidine
PubChem CID155952046
Molecular FormulaC8H11F2N3O2S
Molecular Weight251.26 g/mol
Exact Mass251.05
IUPAC Name4,4-difluoro-1-(1H-pyrazol-5-ylsulfonyl)piperidine
SMILESO=S(=O)(c1ccn[nH]1)N1CCC(F)(F)CC1
InChIInChI=1S/C8H11F2N3O2S/c9-8(10)2-5-13(6-3-8)16(14,15)7-1-4-11-12-7/h1,4H,2-3,5-6H2,(H,11,12)
InChIKeyAEFXDBNRIBIANA-UHFFFAOYSA-N
XLogP0.83
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-(1H-pyrazol-5-ylsulfonyl)piperidine?
The IUPAC name of 4,4-difluoro-1-(1H-pyrazol-5-ylsulfonyl)piperidine (CID 155952046) is 4,4-difluoro-1-(1H-pyrazol-5-ylsulfonyl)piperidine.
What is the SMILES notation for 4,4-difluoro-1-(1H-pyrazol-5-ylsulfonyl)piperidine?
The canonical SMILES for 4,4-difluoro-1-(1H-pyrazol-5-ylsulfonyl)piperidine is O=S(=O)(c1ccn[nH]1)N1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-1-(1H-pyrazol-5-ylsulfonyl)piperidine?
The InChIKey is AEFXDBNRIBIANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O2S/c9-8(10)2-5-13(6-3-8)16(14,15)7-1-4-11-12-7/h1,4H,2-3,5-6H2,(H,11,12).
What are the key properties of 4,4-difluoro-1-(1H-pyrazol-5-ylsulfonyl)piperidine?
4,4-difluoro-1-(1H-pyrazol-5-ylsulfonyl)piperidine has a molecular weight of 251.26 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-(1H-pyrazol-5-ylsulfonyl)piperidine is sourced from PubChem (CID 155952046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).