2-(4-fluorophenyl)sulfonyl-1-(4-phenylpiperazin-1-yl)ethanone

C18H19FN2O3S — CID 7177747

IUPAC2-(4-fluorophenyl)sulfonyl-1-(4-phenylpiperazin-1-yl)ethanone
SMILESO=C(CS(=O)(=O)c1ccc(F)cc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H19FN2O3S/c19-15-6-8-17(9-7-15)25(23,24)14-18(22)21-12-10-20(11-13-21)16-4-2-1-3-5-16/h1-9H,10-14H2
InChIKeyPICUFMHFGJLFJR-UHFFFAOYSA-N
MW362.43 g/mol
LogP1.95
Rot. Bonds4

About 2-(4-fluorophenyl)sulfonyl-1-(4-phenylpiperazin-1-yl)ethanone

2-(4-fluorophenyl)sulfonyl-1-(4-phenylpiperazin-1-yl)ethanone (PubChem CID 7177747) has the molecular formula C18H19FN2O3S and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfonyl-1-(4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfonyl-1-(4-phenylpiperazin-1-yl)ethanone
PubChem CID7177747
Molecular FormulaC18H19FN2O3S
Molecular Weight362.43 g/mol
Exact Mass362.11
IUPAC Name2-(4-fluorophenyl)sulfonyl-1-(4-phenylpiperazin-1-yl)ethanone
SMILESO=C(CS(=O)(=O)c1ccc(F)cc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H19FN2O3S/c19-15-6-8-17(9-7-15)25(23,24)14-18(22)21-12-10-20(11-13-21)16-4-2-1-3-5-16/h1-9H,10-14H2
InChIKeyPICUFMHFGJLFJR-UHFFFAOYSA-N
XLogP1.95
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfonyl-1-(4-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(4-fluorophenyl)sulfonyl-1-(4-phenylpiperazin-1-yl)ethanone (CID 7177747) is 2-(4-fluorophenyl)sulfonyl-1-(4-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)sulfonyl-1-(4-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(4-fluorophenyl)sulfonyl-1-(4-phenylpiperazin-1-yl)ethanone is O=C(CS(=O)(=O)c1ccc(F)cc1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-(4-fluorophenyl)sulfonyl-1-(4-phenylpiperazin-1-yl)ethanone?
The InChIKey is PICUFMHFGJLFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3S/c19-15-6-8-17(9-7-15)25(23,24)14-18(22)21-12-10-20(11-13-21)16-4-2-1-3-5-16/h1-9H,10-14H2.
What are the key properties of 2-(4-fluorophenyl)sulfonyl-1-(4-phenylpiperazin-1-yl)ethanone?
2-(4-fluorophenyl)sulfonyl-1-(4-phenylpiperazin-1-yl)ethanone has a molecular weight of 362.43 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfonyl-1-(4-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 7177747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).