1-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyridin-2-one

C17H18FN3O4S — CID 8570492

IUPAC1-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyridin-2-one
SMILESO=C(Cn1ccccc1=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C17H18FN3O4S/c18-14-5-1-2-6-15(14)26(24,25)21-11-9-19(10-12-21)17(23)13-20-8-4-3-7-16(20)22/h1-8H,9-13H2
InChIKeyLMBYAKLVSYTKIQ-UHFFFAOYSA-N
MW379.41 g/mol
LogP0.52
Rot. Bonds4

About 1-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyridin-2-one

1-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyridin-2-one (PubChem CID 8570492) has the molecular formula C17H18FN3O4S and a molecular weight of 379.41 g/mol. Its IUPAC name is 1-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyridin-2-one
PubChem CID8570492
Molecular FormulaC17H18FN3O4S
Molecular Weight379.41 g/mol
Exact Mass379.10
IUPAC Name1-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyridin-2-one
SMILESO=C(Cn1ccccc1=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C17H18FN3O4S/c18-14-5-1-2-6-15(14)26(24,25)21-11-9-19(10-12-21)17(23)13-20-8-4-3-7-16(20)22/h1-8H,9-13H2
InChIKeyLMBYAKLVSYTKIQ-UHFFFAOYSA-N
XLogP0.52
TPSA79.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyridin-2-one?
The IUPAC name of 1-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyridin-2-one (CID 8570492) is 1-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyridin-2-one is O=C(Cn1ccccc1=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of 1-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyridin-2-one?
The InChIKey is LMBYAKLVSYTKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O4S/c18-14-5-1-2-6-15(14)26(24,25)21-11-9-19(10-12-21)17(23)13-20-8-4-3-7-16(20)22/h1-8H,9-13H2.
What are the key properties of 1-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyridin-2-one?
1-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyridin-2-one has a molecular weight of 379.41 g/mol, XLogP of 0.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 8570492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).