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

C19H21FN2O4S — CID 7750521

IUPAC1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)cc1
InChIInChI=1S/C19H21FN2O4S/c1-26-16-8-6-15(7-9-16)14-19(23)21-10-12-22(13-11-21)27(24,25)18-5-3-2-4-17(18)20/h2-9H,10-14H2,1H3
InChIKeyMCBXVIHSWNUPCT-UHFFFAOYSA-N
MW392.45 g/mol
LogP1.91
Rot. Bonds5

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

1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-(4-methoxyphenyl)ethanone (PubChem CID 7750521) 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-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-(4-methoxyphenyl)ethanone
PubChem CID7750521
Molecular FormulaC19H21FN2O4S
Molecular Weight392.45 g/mol
Exact Mass392.12
IUPAC Name1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)cc1
InChIInChI=1S/C19H21FN2O4S/c1-26-16-8-6-15(7-9-16)14-19(23)21-10-12-22(13-11-21)27(24,25)18-5-3-2-4-17(18)20/h2-9H,10-14H2,1H3
InChIKeyMCBXVIHSWNUPCT-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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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-(4-methoxyphenyl)ethanone?
The IUPAC name of 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-(4-methoxyphenyl)ethanone (CID 7750521) is 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-(4-methoxyphenyl)ethanone?
The canonical SMILES for 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-(4-methoxyphenyl)ethanone is COc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)cc1.
What is the InChIKey of 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-(4-methoxyphenyl)ethanone?
The InChIKey is MCBXVIHSWNUPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4S/c1-26-16-8-6-15(7-9-16)14-19(23)21-10-12-22(13-11-21)27(24,25)18-5-3-2-4-17(18)20/h2-9H,10-14H2,1H3.
What are the key properties of 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-(4-methoxyphenyl)ethanone?
1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-(4-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-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 7750521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).