4-(3,5-difluorophenyl)sulfonyl-3-ethylpiperazin-2-one

C12H14F2N2O3S — CID 63600178

IUPAC4-(3,5-difluorophenyl)sulfonyl-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1S(=O)(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C12H14F2N2O3S/c1-2-11-12(17)15-3-4-16(11)20(18,19)10-6-8(13)5-9(14)7-10/h5-7,11H,2-4H2,1H3,(H,15,17)
InChIKeyZXNXSAVYLWGJEC-UHFFFAOYSA-N
MW304.32 g/mol
LogP0.86
Rot. Bonds3

About 4-(3,5-difluorophenyl)sulfonyl-3-ethylpiperazin-2-one

4-(3,5-difluorophenyl)sulfonyl-3-ethylpiperazin-2-one (PubChem CID 63600178) has the molecular formula C12H14F2N2O3S and a molecular weight of 304.32 g/mol. Its IUPAC name is 4-(3,5-difluorophenyl)sulfonyl-3-ethylpiperazin-2-one.

Molecular Properties

Compound Name4-(3,5-difluorophenyl)sulfonyl-3-ethylpiperazin-2-one
PubChem CID63600178
Molecular FormulaC12H14F2N2O3S
Molecular Weight304.32 g/mol
Exact Mass304.07
IUPAC Name4-(3,5-difluorophenyl)sulfonyl-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1S(=O)(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C12H14F2N2O3S/c1-2-11-12(17)15-3-4-16(11)20(18,19)10-6-8(13)5-9(14)7-10/h5-7,11H,2-4H2,1H3,(H,15,17)
InChIKeyZXNXSAVYLWGJEC-UHFFFAOYSA-N
XLogP0.86
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-difluorophenyl)sulfonyl-3-ethylpiperazin-2-one?
The IUPAC name of 4-(3,5-difluorophenyl)sulfonyl-3-ethylpiperazin-2-one (CID 63600178) is 4-(3,5-difluorophenyl)sulfonyl-3-ethylpiperazin-2-one.
What is the SMILES notation for 4-(3,5-difluorophenyl)sulfonyl-3-ethylpiperazin-2-one?
The canonical SMILES for 4-(3,5-difluorophenyl)sulfonyl-3-ethylpiperazin-2-one is CCC1C(=O)NCCN1S(=O)(=O)c1cc(F)cc(F)c1.
What is the InChIKey of 4-(3,5-difluorophenyl)sulfonyl-3-ethylpiperazin-2-one?
The InChIKey is ZXNXSAVYLWGJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O3S/c1-2-11-12(17)15-3-4-16(11)20(18,19)10-6-8(13)5-9(14)7-10/h5-7,11H,2-4H2,1H3,(H,15,17).
What are the key properties of 4-(3,5-difluorophenyl)sulfonyl-3-ethylpiperazin-2-one?
4-(3,5-difluorophenyl)sulfonyl-3-ethylpiperazin-2-one has a molecular weight of 304.32 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-difluorophenyl)sulfonyl-3-ethylpiperazin-2-one is sourced from PubChem (CID 63600178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).