1-[4-(4-fluorophenyl)sulfonyl-3-phenylpiperazin-1-yl]ethanone

C18H19FN2O3S — CID 118727890

IUPAC1-[4-(4-fluorophenyl)sulfonyl-3-phenylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)C(c2ccccc2)C1
InChIInChI=1S/C18H19FN2O3S/c1-14(22)20-11-12-21(18(13-20)15-5-3-2-4-6-15)25(23,24)17-9-7-16(19)8-10-17/h2-10,18H,11-13H2,1H3
InChIKeyZMBMKZZELJBYBS-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.42
Rot. Bonds3

About 1-[4-(4-fluorophenyl)sulfonyl-3-phenylpiperazin-1-yl]ethanone

1-[4-(4-fluorophenyl)sulfonyl-3-phenylpiperazin-1-yl]ethanone (PubChem CID 118727890) has the molecular formula C18H19FN2O3S and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)sulfonyl-3-phenylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)sulfonyl-3-phenylpiperazin-1-yl]ethanone
PubChem CID118727890
Molecular FormulaC18H19FN2O3S
Molecular Weight362.43 g/mol
Exact Mass362.11
IUPAC Name1-[4-(4-fluorophenyl)sulfonyl-3-phenylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)C(c2ccccc2)C1
InChIInChI=1S/C18H19FN2O3S/c1-14(22)20-11-12-21(18(13-20)15-5-3-2-4-6-15)25(23,24)17-9-7-16(19)8-10-17/h2-10,18H,11-13H2,1H3
InChIKeyZMBMKZZELJBYBS-UHFFFAOYSA-N
XLogP2.42
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-[(4-Fluorophenyl)methyl]piperazin-1-yl]carbonylbenzenesulfonamide
CID 135393501
N~2~-(3-aminopropyl)-N-[(4-fluorophenyl)methyl]-N~2~-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide
CID 146171281
N-[4-(4-Acetylpiperazin-1-Yl)-2-Fluorobenzyl]-N-Cyclobutylbenzenesulfonamide
CID 86346644
1-(Benzenesulfonyl)-4-benzylpiperazine
CID 711024
4-[(3~{S})-4-ethanoyl-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide
CID 134158397
4-[(3~{S})-4-methyl-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide
CID 145959374
2-[benzenesulfonyl(benzyl)amino]-N-tert-butylacetamide
CID 2252317
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 4789251
N-[(2S)-1-(4-benzhydrylpiperazin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide
CID 16242636
1-(3-Fluorobenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine
CID 764400
1-(1-Benzyl-4-piperidinyl)-4-(phenylsulfonyl)piperazine
CID 1131737
1-(3-Fluorobenzoyl)-4-[(4-isopropylphenyl)sulfonyl]piperazine
CID 3237315

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)sulfonyl-3-phenylpiperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(4-fluorophenyl)sulfonyl-3-phenylpiperazin-1-yl]ethanone (CID 118727890) is 1-[4-(4-fluorophenyl)sulfonyl-3-phenylpiperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-fluorophenyl)sulfonyl-3-phenylpiperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-fluorophenyl)sulfonyl-3-phenylpiperazin-1-yl]ethanone is CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)C(c2ccccc2)C1.
What is the InChIKey of 1-[4-(4-fluorophenyl)sulfonyl-3-phenylpiperazin-1-yl]ethanone?
The InChIKey is ZMBMKZZELJBYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3S/c1-14(22)20-11-12-21(18(13-20)15-5-3-2-4-6-15)25(23,24)17-9-7-16(19)8-10-17/h2-10,18H,11-13H2,1H3.
What are the key properties of 1-[4-(4-fluorophenyl)sulfonyl-3-phenylpiperazin-1-yl]ethanone?
1-[4-(4-fluorophenyl)sulfonyl-3-phenylpiperazin-1-yl]ethanone has a molecular weight of 362.43 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)sulfonyl-3-phenylpiperazin-1-yl]ethanone is sourced from PubChem (CID 118727890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).