2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylcyclohexan-1-one

C16H21FN2O3S — CID 22719704

IUPAC2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylcyclohexan-1-one
SMILESO=C1CCCCC1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H21FN2O3S/c17-13-5-7-14(8-6-13)18-9-11-19(12-10-18)23(21,22)16-4-2-1-3-15(16)20/h5-8,16H,1-4,9-12H2
InChIKeyHQFAJSVJTJEWBK-UHFFFAOYSA-N
MW340.42 g/mol
LogP1.79
Rot. Bonds3

About 2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylcyclohexan-1-one

2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylcyclohexan-1-one (PubChem CID 22719704) has the molecular formula C16H21FN2O3S and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylcyclohexan-1-one.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylcyclohexan-1-one
PubChem CID22719704
Molecular FormulaC16H21FN2O3S
Molecular Weight340.42 g/mol
Exact Mass340.13
IUPAC Name2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylcyclohexan-1-one
SMILESO=C1CCCCC1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H21FN2O3S/c17-13-5-7-14(8-6-13)18-9-11-19(12-10-18)23(21,22)16-4-2-1-3-15(16)20/h5-8,16H,1-4,9-12H2
InChIKeyHQFAJSVJTJEWBK-UHFFFAOYSA-N
XLogP1.79
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)piperazine
CID 648905
1-(benzenesulfonyl)-4-(4-fluorophenyl)piperazine
CID 779709
1-(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonyl-4-(4-fluorophenyl)piperazine
CID 42285563
2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylaniline
CID 129451972
1-(2,4-dichlorophenyl)sulfonyl-4-(4-fluorophenyl)piperazine
CID 2280565
N-cycloheptyl-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide
CID 27374234
3-cyclopentyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]propanamide
CID 16801509
[4-(4-fluorophenyl)piperazin-1-yl]-(1-methylsulfonylpiperidin-2-yl)methanone
CID 16580978
1-(4-bromo-2,5-dimethylphenyl)sulfonyl-4-(4-fluorophenyl)piperazine
CID 1184061
2-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 2886463
cis-(1R,2S)-2-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 873866
trans-(1S,2S)-2-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 873868

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylcyclohexan-1-one?
The IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylcyclohexan-1-one (CID 22719704) is 2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylcyclohexan-1-one.
What is the SMILES notation for 2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylcyclohexan-1-one?
The canonical SMILES for 2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylcyclohexan-1-one is O=C1CCCCC1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylcyclohexan-1-one?
The InChIKey is HQFAJSVJTJEWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O3S/c17-13-5-7-14(8-6-13)18-9-11-19(12-10-18)23(21,22)16-4-2-1-3-15(16)20/h5-8,16H,1-4,9-12H2.
What are the key properties of 2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylcyclohexan-1-one?
2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylcyclohexan-1-one has a molecular weight of 340.42 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylcyclohexan-1-one is sourced from PubChem (CID 22719704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).