1-(4-fluoro-3-methylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone

C17H19FN2O3S2 — CID 110366490

IUPAC1-(4-fluoro-3-methylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
SMILESCc1cc(C(=O)CN2CCN(S(=O)(=O)c3cccs3)CC2)ccc1F
InChIInChI=1S/C17H19FN2O3S2/c1-13-11-14(4-5-15(13)18)16(21)12-19-6-8-20(9-7-19)25(22,23)17-3-2-10-24-17/h2-5,10-11H,6-9,12H2,1H3
InChIKeyZILKBUSNGQXQTA-UHFFFAOYSA-N
MW382.48 g/mol
LogP2.38
Rot. Bonds5

About 1-(4-fluoro-3-methylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone

1-(4-fluoro-3-methylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone (PubChem CID 110366490) has the molecular formula C17H19FN2O3S2 and a molecular weight of 382.48 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
PubChem CID110366490
Molecular FormulaC17H19FN2O3S2
Molecular Weight382.48 g/mol
Exact Mass382.08
IUPAC Name1-(4-fluoro-3-methylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
SMILESCc1cc(C(=O)CN2CCN(S(=O)(=O)c3cccs3)CC2)ccc1F
InChIInChI=1S/C17H19FN2O3S2/c1-13-11-14(4-5-15(13)18)16(21)12-19-6-8-20(9-7-19)25(22,23)17-3-2-10-24-17/h2-5,10-11H,6-9,12H2,1H3
InChIKeyZILKBUSNGQXQTA-UHFFFAOYSA-N
XLogP2.38
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dimethylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 110366560
2-[4-(benzenesulfonyl)piperazin-1-yl]-1-(4-fluoro-3-methylphenyl)ethanone
CID 110366487
(4-fluoro-3-methylphenyl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
CID 110394259
N,N-dimethyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 9111668
1-(1H-pyrrol-2-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 17445671
1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 24680350
N-(3,5-difluorophenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 24680339
N-(tert-butylcarbamoyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 2655830
1-[4-[2-(4-fluoro-3-methylphenyl)-2-oxoethyl]piperazin-1-yl]butan-1-one
CID 110366424
(5-chloro-2-fluorophenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 9086144
(4,5-dimethylthiophen-2-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 17024355
N-[1-(3-chlorophenyl)ethyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 42913648

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone (CID 110366490) is 1-(4-fluoro-3-methylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone is Cc1cc(C(=O)CN2CCN(S(=O)(=O)c3cccs3)CC2)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone?
The InChIKey is ZILKBUSNGQXQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3S2/c1-13-11-14(4-5-15(13)18)16(21)12-19-6-8-20(9-7-19)25(22,23)17-3-2-10-24-17/h2-5,10-11H,6-9,12H2,1H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone?
1-(4-fluoro-3-methylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone has a molecular weight of 382.48 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone is sourced from PubChem (CID 110366490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).