1-[2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyrimidin-2-one

C16H16F2N4O4S — CID 39944830

IUPAC1-[2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyrimidin-2-one
SMILESO=C(Cn1cccnc1=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C16H16F2N4O4S/c17-12-2-3-14(13(18)10-12)27(25,26)22-8-6-20(7-9-22)15(23)11-21-5-1-4-19-16(21)24/h1-5,10H,6-9,11H2
InChIKeyFIESUQHDBOGWNK-UHFFFAOYSA-N
MW398.39 g/mol
LogP0.05
Rot. Bonds4

About 1-[2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyrimidin-2-one

1-[2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyrimidin-2-one (PubChem CID 39944830) has the molecular formula C16H16F2N4O4S and a molecular weight of 398.39 g/mol. Its IUPAC name is 1-[2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyrimidin-2-one
PubChem CID39944830
Molecular FormulaC16H16F2N4O4S
Molecular Weight398.39 g/mol
Exact Mass398.09
IUPAC Name1-[2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyrimidin-2-one
SMILESO=C(Cn1cccnc1=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C16H16F2N4O4S/c17-12-2-3-14(13(18)10-12)27(25,26)22-8-6-20(7-9-22)15(23)11-21-5-1-4-19-16(21)24/h1-5,10H,6-9,11H2
InChIKeyFIESUQHDBOGWNK-UHFFFAOYSA-N
XLogP0.05
TPSA92.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.39
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyrimidin-2-one?
The IUPAC name of 1-[2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyrimidin-2-one (CID 39944830) is 1-[2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyrimidin-2-one.
What is the SMILES notation for 1-[2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyrimidin-2-one?
The canonical SMILES for 1-[2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyrimidin-2-one is O=C(Cn1cccnc1=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of 1-[2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyrimidin-2-one?
The InChIKey is FIESUQHDBOGWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N4O4S/c17-12-2-3-14(13(18)10-12)27(25,26)22-8-6-20(7-9-22)15(23)11-21-5-1-4-19-16(21)24/h1-5,10H,6-9,11H2.
What are the key properties of 1-[2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyrimidin-2-one?
1-[2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyrimidin-2-one has a molecular weight of 398.39 g/mol, XLogP of 0.05, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyrimidin-2-one is sourced from PubChem (CID 39944830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).