2-[4-(benzenesulfonyl)piperazin-1-yl]-1-(4-fluoro-3-methylphenyl)ethanone

C19H21FN2O3S — CID 110366487

IUPAC2-[4-(benzenesulfonyl)piperazin-1-yl]-1-(4-fluoro-3-methylphenyl)ethanone
SMILESCc1cc(C(=O)CN2CCN(S(=O)(=O)c3ccccc3)CC2)ccc1F
InChIInChI=1S/C19H21FN2O3S/c1-15-13-16(7-8-18(15)20)19(23)14-21-9-11-22(12-10-21)26(24,25)17-5-3-2-4-6-17/h2-8,13H,9-12,14H2,1H3
InChIKeyDRRBSSVUEBJFPM-UHFFFAOYSA-N
MW376.45 g/mol
LogP2.32
Rot. Bonds5

About 2-[4-(benzenesulfonyl)piperazin-1-yl]-1-(4-fluoro-3-methylphenyl)ethanone

2-[4-(benzenesulfonyl)piperazin-1-yl]-1-(4-fluoro-3-methylphenyl)ethanone (PubChem CID 110366487) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is 2-[4-(benzenesulfonyl)piperazin-1-yl]-1-(4-fluoro-3-methylphenyl)ethanone.

Molecular Properties

Compound Name2-[4-(benzenesulfonyl)piperazin-1-yl]-1-(4-fluoro-3-methylphenyl)ethanone
PubChem CID110366487
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC Name2-[4-(benzenesulfonyl)piperazin-1-yl]-1-(4-fluoro-3-methylphenyl)ethanone
SMILESCc1cc(C(=O)CN2CCN(S(=O)(=O)c3ccccc3)CC2)ccc1F
InChIInChI=1S/C19H21FN2O3S/c1-15-13-16(7-8-18(15)20)19(23)14-21-9-11-22(12-10-21)26(24,25)17-5-3-2-4-6-17/h2-8,13H,9-12,14H2,1H3
InChIKeyDRRBSSVUEBJFPM-UHFFFAOYSA-N
XLogP2.32
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluoro-3-methylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 110366490
2-[4-(benzenesulfonyl)piperazin-1-yl]-1-(4-ethylphenyl)ethanone
CID 110366810
1-(4-fluorophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 15997423
2-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 110659782
benzyl 4-[2-(4-fluoro-3-methylphenyl)-2-oxoethyl]piperazine-1-carboxylate
CID 110366473
1-(3,4-dimethoxyphenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 3674711
1-(4-ethylphenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 110366812
1-[4-[2-(4-fluoro-3-methylphenyl)-2-oxoethyl]piperazin-1-yl]butan-1-one
CID 110366424
2-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-1-(4-methylphenyl)ethanone
CID 110366401
1-(3,4-dimethylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 110366560
1-(2,5-dimethylphenyl)-2-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 110366633
2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(4-fluoro-3-methylphenyl)ethanone
CID 110366432

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzenesulfonyl)piperazin-1-yl]-1-(4-fluoro-3-methylphenyl)ethanone?
The IUPAC name of 2-[4-(benzenesulfonyl)piperazin-1-yl]-1-(4-fluoro-3-methylphenyl)ethanone (CID 110366487) is 2-[4-(benzenesulfonyl)piperazin-1-yl]-1-(4-fluoro-3-methylphenyl)ethanone.
What is the SMILES notation for 2-[4-(benzenesulfonyl)piperazin-1-yl]-1-(4-fluoro-3-methylphenyl)ethanone?
The canonical SMILES for 2-[4-(benzenesulfonyl)piperazin-1-yl]-1-(4-fluoro-3-methylphenyl)ethanone is Cc1cc(C(=O)CN2CCN(S(=O)(=O)c3ccccc3)CC2)ccc1F.
What is the InChIKey of 2-[4-(benzenesulfonyl)piperazin-1-yl]-1-(4-fluoro-3-methylphenyl)ethanone?
The InChIKey is DRRBSSVUEBJFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c1-15-13-16(7-8-18(15)20)19(23)14-21-9-11-22(12-10-21)26(24,25)17-5-3-2-4-6-17/h2-8,13H,9-12,14H2,1H3.
What are the key properties of 2-[4-(benzenesulfonyl)piperazin-1-yl]-1-(4-fluoro-3-methylphenyl)ethanone?
2-[4-(benzenesulfonyl)piperazin-1-yl]-1-(4-fluoro-3-methylphenyl)ethanone has a molecular weight of 376.45 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzenesulfonyl)piperazin-1-yl]-1-(4-fluoro-3-methylphenyl)ethanone is sourced from PubChem (CID 110366487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).