5-[1-(2-fluorophenyl)pyrazol-4-yl]sulfonyl-5-azaspiro[2.5]octane

C16H18FN3O2S — CID 139006867

IUPAC5-[1-(2-fluorophenyl)pyrazol-4-yl]sulfonyl-5-azaspiro[2.5]octane
SMILESO=S(=O)(c1cnn(-c2ccccc2F)c1)N1CCCC2(CC2)C1
InChIInChI=1S/C16H18FN3O2S/c17-14-4-1-2-5-15(14)20-11-13(10-18-20)23(21,22)19-9-3-6-16(12-19)7-8-16/h1-2,4-5,10-11H,3,6-9,12H2
InChIKeyFCIALWAWBHNPLK-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.58
Rot. Bonds3

About 5-[1-(2-fluorophenyl)pyrazol-4-yl]sulfonyl-5-azaspiro[2.5]octane

5-[1-(2-fluorophenyl)pyrazol-4-yl]sulfonyl-5-azaspiro[2.5]octane (PubChem CID 139006867) has the molecular formula C16H18FN3O2S and a molecular weight of 335.40 g/mol. Its IUPAC name is 5-[1-(2-fluorophenyl)pyrazol-4-yl]sulfonyl-5-azaspiro[2.5]octane.

Molecular Properties

Compound Name5-[1-(2-fluorophenyl)pyrazol-4-yl]sulfonyl-5-azaspiro[2.5]octane
PubChem CID139006867
Molecular FormulaC16H18FN3O2S
Molecular Weight335.40 g/mol
Exact Mass335.11
IUPAC Name5-[1-(2-fluorophenyl)pyrazol-4-yl]sulfonyl-5-azaspiro[2.5]octane
SMILESO=S(=O)(c1cnn(-c2ccccc2F)c1)N1CCCC2(CC2)C1
InChIInChI=1S/C16H18FN3O2S/c17-14-4-1-2-5-15(14)20-11-13(10-18-20)23(21,22)19-9-3-6-16(12-19)7-8-16/h1-2,4-5,10-11H,3,6-9,12H2
InChIKeyFCIALWAWBHNPLK-UHFFFAOYSA-N
XLogP2.58
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-fluorophenyl)pyrazol-4-yl]sulfonyl-5-azaspiro[2.5]octane?
The IUPAC name of 5-[1-(2-fluorophenyl)pyrazol-4-yl]sulfonyl-5-azaspiro[2.5]octane (CID 139006867) is 5-[1-(2-fluorophenyl)pyrazol-4-yl]sulfonyl-5-azaspiro[2.5]octane.
What is the SMILES notation for 5-[1-(2-fluorophenyl)pyrazol-4-yl]sulfonyl-5-azaspiro[2.5]octane?
The canonical SMILES for 5-[1-(2-fluorophenyl)pyrazol-4-yl]sulfonyl-5-azaspiro[2.5]octane is O=S(=O)(c1cnn(-c2ccccc2F)c1)N1CCCC2(CC2)C1.
What is the InChIKey of 5-[1-(2-fluorophenyl)pyrazol-4-yl]sulfonyl-5-azaspiro[2.5]octane?
The InChIKey is FCIALWAWBHNPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2S/c17-14-4-1-2-5-15(14)20-11-13(10-18-20)23(21,22)19-9-3-6-16(12-19)7-8-16/h1-2,4-5,10-11H,3,6-9,12H2.
What are the key properties of 5-[1-(2-fluorophenyl)pyrazol-4-yl]sulfonyl-5-azaspiro[2.5]octane?
5-[1-(2-fluorophenyl)pyrazol-4-yl]sulfonyl-5-azaspiro[2.5]octane has a molecular weight of 335.40 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-fluorophenyl)pyrazol-4-yl]sulfonyl-5-azaspiro[2.5]octane is sourced from PubChem (CID 139006867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).