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

C19H20F2N2O3S — CID 55818342

IUPAC1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)sulfonylpropan-1-one
SMILESCC(C(=O)N1CCN(c2ccc(F)cc2)CC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H20F2N2O3S/c1-14(27(25,26)18-8-4-16(21)5-9-18)19(24)23-12-10-22(11-13-23)17-6-2-15(20)3-7-17/h2-9,14H,10-13H2,1H3
InChIKeyAKHAQXMVXZJKIU-UHFFFAOYSA-N
MW394.44 g/mol
LogP2.48
Rot. Bonds4

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

1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)sulfonylpropan-1-one (PubChem CID 55818342) has the molecular formula C19H20F2N2O3S and a molecular weight of 394.44 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)sulfonylpropan-1-one.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)sulfonylpropan-1-one
PubChem CID55818342
Molecular FormulaC19H20F2N2O3S
Molecular Weight394.44 g/mol
Exact Mass394.12
IUPAC Name1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)sulfonylpropan-1-one
SMILESCC(C(=O)N1CCN(c2ccc(F)cc2)CC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H20F2N2O3S/c1-14(27(25,26)18-8-4-16(21)5-9-18)19(24)23-12-10-22(11-13-23)17-6-2-15(20)3-7-17/h2-9,14H,10-13H2,1H3
InChIKeyAKHAQXMVXZJKIU-UHFFFAOYSA-N
XLogP2.48
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 58778042
1-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)sulfonylpropan-1-one
CID 55811284
(2R)-2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119827512
4-bromo-N-[(2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide
CID 124545824
N-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide
CID 4037453
(3S)-1-[(2R)-2-(4-fluorophenyl)sulfonylpropanoyl]piperidine-3-carboxylic acid
CID 125147539
4-fluoro-N-[(2S)-1-oxo-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propan-2-yl]benzenesulfonamide
CID 9255096
4-fluoro-N-[(2S)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]benzenesulfonamide
CID 9255097
N-[(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-N-(4-methylphenyl)methanesulfonamide
CID 1252806
2-hydroxy-1-[4-(4-methylsulfonylphenyl)piperazin-1-yl]propan-1-one
CID 133452004
N-(2-fluorophenyl)-N-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]methanesulfonamide
CID 132667265
1-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3,3-dimethylpyrrolidine-2,5-dione
CID 127038607

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)sulfonylpropan-1-one?
The IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)sulfonylpropan-1-one (CID 55818342) is 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)sulfonylpropan-1-one.
What is the SMILES notation for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)sulfonylpropan-1-one?
The canonical SMILES for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)sulfonylpropan-1-one is CC(C(=O)N1CCN(c2ccc(F)cc2)CC1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)sulfonylpropan-1-one?
The InChIKey is AKHAQXMVXZJKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O3S/c1-14(27(25,26)18-8-4-16(21)5-9-18)19(24)23-12-10-22(11-13-23)17-6-2-15(20)3-7-17/h2-9,14H,10-13H2,1H3.
What are the key properties of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)sulfonylpropan-1-one?
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)sulfonylpropan-1-one has a molecular weight of 394.44 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)sulfonylpropan-1-one is sourced from PubChem (CID 55818342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).