1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-(2-methoxyphenyl)ethanone

C19H21FN2O4S — CID 2576575

IUPAC1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C19H21FN2O4S/c1-26-17-8-4-2-6-15(17)14-19(23)21-10-12-22(13-11-21)27(24,25)18-9-5-3-7-16(18)20/h2-9H,10-14H2,1H3
InChIKeyAKLXJTXGDUFSME-UHFFFAOYSA-N
MW392.45 g/mol
LogP1.91
Rot. Bonds5

About 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-(2-methoxyphenyl)ethanone

1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-(2-methoxyphenyl)ethanone (PubChem CID 2576575) has the molecular formula C19H21FN2O4S and a molecular weight of 392.45 g/mol. Its IUPAC name is 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-(2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-(2-methoxyphenyl)ethanone
PubChem CID2576575
Molecular FormulaC19H21FN2O4S
Molecular Weight392.45 g/mol
Exact Mass392.12
IUPAC Name1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C19H21FN2O4S/c1-26-17-8-4-2-6-15(17)14-19(23)21-10-12-22(13-11-21)27(24,25)18-9-5-3-7-16(18)20/h2-9H,10-14H2,1H3
InChIKeyAKLXJTXGDUFSME-UHFFFAOYSA-N
XLogP1.91
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Cyclohexyl-[4-(4-methoxy-benzenesulfonyl)-piperazin-1-yl]-methanone
CID 1078633
2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(3-oxo-1-phenylbutan-2-yl)acetamide
CID 4842947
2-(2-Methoxyphenyl)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone
CID 6465271
2-(2-Methoxy-phenyl)-1-[4-(3-phenyl-propyl)-piperazin-1-yl]-ethanone
CID 401818
1-(methylsulfonyl)-4-(9H-xanthen-9-ylcarbonyl)piperazine
CID 1245208
4-(3-Methylphenoxy)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 4803230
1-(4-Ethoxyphenyl)-4-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]butane-1,4-dione
CID 4850023
ethyl 4-[4-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]piperazin-1-yl]sulfonylbenzoate
CID 6218127
2-(2-Methoxyphenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 6465259
1-[4-(3-Fluorophenyl)sulfonylpiperazin-1-yl]-4-(4-methylphenoxy)butan-1-one
CID 9369504
2-(2-Methoxy-phenyl)-1-{4-[2-(2-methoxy-phenyl)-ethyl]-piperazin-1-yl}-ethanone
CID 44364189
4-[4-(3-Methoxybenzoyl)piperazine-1-carbonyl]benzenesulfonamide
CID 156009735

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-(2-methoxyphenyl)ethanone?
The IUPAC name of 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-(2-methoxyphenyl)ethanone (CID 2576575) is 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-(2-methoxyphenyl)ethanone.
What is the SMILES notation for 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-(2-methoxyphenyl)ethanone?
The canonical SMILES for 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-(2-methoxyphenyl)ethanone is COc1ccccc1CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-(2-methoxyphenyl)ethanone?
The InChIKey is AKLXJTXGDUFSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4S/c1-26-17-8-4-2-6-15(17)14-19(23)21-10-12-22(13-11-21)27(24,25)18-9-5-3-7-16(18)20/h2-9H,10-14H2,1H3.
What are the key properties of 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-(2-methoxyphenyl)ethanone?
1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-(2-methoxyphenyl)ethanone has a molecular weight of 392.45 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-(2-methoxyphenyl)ethanone is sourced from PubChem (CID 2576575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).