4-(4-ethoxyphenyl)sulfonylpiperazin-2-one

C12H16N2O4S — CID 2525137

IUPAC4-(4-ethoxyphenyl)sulfonylpiperazin-2-one
SMILESCCOc1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1
InChIInChI=1S/C12H16N2O4S/c1-2-18-10-3-5-11(6-4-10)19(16,17)14-8-7-13-12(15)9-14/h3-6H,2,7-9H2,1H3,(H,13,15)
InChIKeyNGQSPFMHSVQXSU-UHFFFAOYSA-N
MW284.34 g/mol
LogP0.21
Rot. Bonds4

About 4-(4-ethoxyphenyl)sulfonylpiperazin-2-one

4-(4-ethoxyphenyl)sulfonylpiperazin-2-one (PubChem CID 2525137) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)sulfonylpiperazin-2-one.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)sulfonylpiperazin-2-one
PubChem CID2525137
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name4-(4-ethoxyphenyl)sulfonylpiperazin-2-one
SMILESCCOc1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1
InChIInChI=1S/C12H16N2O4S/c1-2-18-10-3-5-11(6-4-10)19(16,17)14-8-7-13-12(15)9-14/h3-6H,2,7-9H2,1H3,(H,13,15)
InChIKeyNGQSPFMHSVQXSU-UHFFFAOYSA-N
XLogP0.21
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)sulfonylpiperazin-2-one?
The IUPAC name of 4-(4-ethoxyphenyl)sulfonylpiperazin-2-one (CID 2525137) is 4-(4-ethoxyphenyl)sulfonylpiperazin-2-one.
What is the SMILES notation for 4-(4-ethoxyphenyl)sulfonylpiperazin-2-one?
The canonical SMILES for 4-(4-ethoxyphenyl)sulfonylpiperazin-2-one is CCOc1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)sulfonylpiperazin-2-one?
The InChIKey is NGQSPFMHSVQXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-2-18-10-3-5-11(6-4-10)19(16,17)14-8-7-13-12(15)9-14/h3-6H,2,7-9H2,1H3,(H,13,15).
What are the key properties of 4-(4-ethoxyphenyl)sulfonylpiperazin-2-one?
4-(4-ethoxyphenyl)sulfonylpiperazin-2-one has a molecular weight of 284.34 g/mol, XLogP of 0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)sulfonylpiperazin-2-one is sourced from PubChem (CID 2525137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).