1-(4-fluorophenyl)sulfonyl-1-azaspiro[4.4]nonan-9-one

C14H16FNO3S — CID 139256700

IUPAC1-(4-fluorophenyl)sulfonyl-1-azaspiro[4.4]nonan-9-one
SMILESO=C1CCCC12CCCN2S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H16FNO3S/c15-11-4-6-12(7-5-11)20(18,19)16-10-2-9-14(16)8-1-3-13(14)17/h4-7H,1-3,8-10H2
InChIKeyKCQOEEPGORFIJJ-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.10
Rot. Bonds2

About 1-(4-fluorophenyl)sulfonyl-1-azaspiro[4.4]nonan-9-one

1-(4-fluorophenyl)sulfonyl-1-azaspiro[4.4]nonan-9-one (PubChem CID 139256700) has the molecular formula C14H16FNO3S and a molecular weight of 297.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-1-azaspiro[4.4]nonan-9-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-1-azaspiro[4.4]nonan-9-one
PubChem CID139256700
Molecular FormulaC14H16FNO3S
Molecular Weight297.35 g/mol
Exact Mass297.08
IUPAC Name1-(4-fluorophenyl)sulfonyl-1-azaspiro[4.4]nonan-9-one
SMILESO=C1CCCC12CCCN2S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H16FNO3S/c15-11-4-6-12(7-5-11)20(18,19)16-10-2-9-14(16)8-1-3-13(14)17/h4-7H,1-3,8-10H2
InChIKeyKCQOEEPGORFIJJ-UHFFFAOYSA-N
XLogP2.10
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(Trifluoromethyl)phenyl]sulfonyl-1-azaspiro[4.4]nonan-9-one
CID 135067095
(5S)-1-(4-methylphenyl)sulfonyl-1-azaspiro[4.4]nonan-9-one
CID 101583393
1-[1-(4-Fluorophenyl)sulfonylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one
CID 59035431
1-(3-Fluorophenyl)sulfonyl-2-methylpyrrolidine-2-carbaldehyde
CID 91363334
1-[(2S,5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]ethanone
CID 122489491
1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]ethanone
CID 122490222
1-[1-(4-Fluorophenyl)sulfonylpyrrolidin-2-yl]-2,2,3-trimethylbutan-1-one
CID 123479912
1-[1-(4-Fluorophenyl)sulfonylpyrrolidin-2-yl]ethanone
CID 123618225
1-[1-(4-Fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]ethanone
CID 123878076
1-[(3S)-2-(4-fluorophenyl)sulfonyl-2-azabicyclo[2.1.1]hexan-3-yl]ethanone
CID 134191869
1-[(3S)-2-(4-fluorophenyl)sulfonyl-1-methyl-2-azabicyclo[2.1.1]hexan-3-yl]ethanone
CID 134192452
(2S)-1-(3-fluorophenyl)sulfonyl-2-methylpyrrolidine-2-carbaldehyde
CID 173209254

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-1-azaspiro[4.4]nonan-9-one?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-1-azaspiro[4.4]nonan-9-one (CID 139256700) is 1-(4-fluorophenyl)sulfonyl-1-azaspiro[4.4]nonan-9-one.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-1-azaspiro[4.4]nonan-9-one?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-1-azaspiro[4.4]nonan-9-one is O=C1CCCC12CCCN2S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-1-azaspiro[4.4]nonan-9-one?
The InChIKey is KCQOEEPGORFIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3S/c15-11-4-6-12(7-5-11)20(18,19)16-10-2-9-14(16)8-1-3-13(14)17/h4-7H,1-3,8-10H2.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-1-azaspiro[4.4]nonan-9-one?
1-(4-fluorophenyl)sulfonyl-1-azaspiro[4.4]nonan-9-one has a molecular weight of 297.35 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-1-azaspiro[4.4]nonan-9-one is sourced from PubChem (CID 139256700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).