[4-(2-fluorophenyl)piperazin-1-yl]-[3-(methylsulfonylmethyl)phenyl]methanone

C19H21FN2O3S — CID 34229440

IUPAC[4-(2-fluorophenyl)piperazin-1-yl]-[3-(methylsulfonylmethyl)phenyl]methanone
SMILESCS(=O)(=O)Cc1cccc(C(=O)N2CCN(c3ccccc3F)CC2)c1
InChIInChI=1S/C19H21FN2O3S/c1-26(24,25)14-15-5-4-6-16(13-15)19(23)22-11-9-21(10-12-22)18-8-3-2-7-17(18)20/h2-8,13H,9-12,14H2,1H3
InChIKeyFKBBILIOWLUDCR-UHFFFAOYSA-N
MW376.45 g/mol
LogP2.33
Rot. Bonds4

About [4-(2-fluorophenyl)piperazin-1-yl]-[3-(methylsulfonylmethyl)phenyl]methanone

[4-(2-fluorophenyl)piperazin-1-yl]-[3-(methylsulfonylmethyl)phenyl]methanone (PubChem CID 34229440) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is [4-(2-fluorophenyl)piperazin-1-yl]-[3-(methylsulfonylmethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)piperazin-1-yl]-[3-(methylsulfonylmethyl)phenyl]methanone
PubChem CID34229440
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC Name[4-(2-fluorophenyl)piperazin-1-yl]-[3-(methylsulfonylmethyl)phenyl]methanone
SMILESCS(=O)(=O)Cc1cccc(C(=O)N2CCN(c3ccccc3F)CC2)c1
InChIInChI=1S/C19H21FN2O3S/c1-26(24,25)14-15-5-4-6-16(13-15)19(23)22-11-9-21(10-12-22)18-8-3-2-7-17(18)20/h2-8,13H,9-12,14H2,1H3
InChIKeyFKBBILIOWLUDCR-UHFFFAOYSA-N
XLogP2.33
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-1-[4-[3-(methylsulfonylmethyl)benzoyl]piperazin-1-yl]propan-1-one
CID 134021641
3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 26590767
N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-(methylsulfonylmethyl)benzamide
CID 57327095
[1-[3-(methylsulfonylmethyl)benzoyl]piperidin-4-yl]-phenylmethanone
CID 41309553
N-[2-chloro-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 46770608
N-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methylphenyl]-N-methylmethanesulfonamide
CID 50946547
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzoic acid
CID 82183776
1-[2-fluoro-6-[4-(3-methylsulfonylbenzoyl)piperazin-1-yl]phenyl]ethanone
CID 133314802
1-[4-[3-[[4-[4-(2-fluorophenyl)piperazin-1-yl]-5,6-dimethylpyrimidin-2-yl]sulfanylmethyl]benzoyl]piperazin-1-yl]ethanone
CID 46147006
3-[[3-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]methyl]-6-phenyl-1,3-diazinane-2,4-dione
CID 42871389
(5-ethylthiophen-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 17217714
(4-butylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 17217763

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-[3-(methylsulfonylmethyl)phenyl]methanone?
The IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-[3-(methylsulfonylmethyl)phenyl]methanone (CID 34229440) is [4-(2-fluorophenyl)piperazin-1-yl]-[3-(methylsulfonylmethyl)phenyl]methanone.
What is the SMILES notation for [4-(2-fluorophenyl)piperazin-1-yl]-[3-(methylsulfonylmethyl)phenyl]methanone?
The canonical SMILES for [4-(2-fluorophenyl)piperazin-1-yl]-[3-(methylsulfonylmethyl)phenyl]methanone is CS(=O)(=O)Cc1cccc(C(=O)N2CCN(c3ccccc3F)CC2)c1.
What is the InChIKey of [4-(2-fluorophenyl)piperazin-1-yl]-[3-(methylsulfonylmethyl)phenyl]methanone?
The InChIKey is FKBBILIOWLUDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c1-26(24,25)14-15-5-4-6-16(13-15)19(23)22-11-9-21(10-12-22)18-8-3-2-7-17(18)20/h2-8,13H,9-12,14H2,1H3.
What are the key properties of [4-(2-fluorophenyl)piperazin-1-yl]-[3-(methylsulfonylmethyl)phenyl]methanone?
[4-(2-fluorophenyl)piperazin-1-yl]-[3-(methylsulfonylmethyl)phenyl]methanone has a molecular weight of 376.45 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)piperazin-1-yl]-[3-(methylsulfonylmethyl)phenyl]methanone is sourced from PubChem (CID 34229440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).