4-(4-acetylphenyl)sulfonylpiperazin-2-one

C12H14N2O4S — CID 4884093

IUPAC4-(4-acetylphenyl)sulfonylpiperazin-2-one
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1
InChIInChI=1S/C12H14N2O4S/c1-9(15)10-2-4-11(5-3-10)19(17,18)14-7-6-13-12(16)8-14/h2-5H,6-8H2,1H3,(H,13,16)
InChIKeyQYJMQWOFXRRVMH-UHFFFAOYSA-N
MW282.32 g/mol
LogP0.01
Rot. Bonds3

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

4-(4-acetylphenyl)sulfonylpiperazin-2-one (PubChem CID 4884093) has the molecular formula C12H14N2O4S and a molecular weight of 282.32 g/mol. Its IUPAC name is 4-(4-acetylphenyl)sulfonylpiperazin-2-one.

Molecular Properties

Compound Name4-(4-acetylphenyl)sulfonylpiperazin-2-one
PubChem CID4884093
Molecular FormulaC12H14N2O4S
Molecular Weight282.32 g/mol
Exact Mass282.07
IUPAC Name4-(4-acetylphenyl)sulfonylpiperazin-2-one
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1
InChIInChI=1S/C12H14N2O4S/c1-9(15)10-2-4-11(5-3-10)19(17,18)14-7-6-13-12(16)8-14/h2-5H,6-8H2,1H3,(H,13,16)
InChIKeyQYJMQWOFXRRVMH-UHFFFAOYSA-N
XLogP0.01
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylphenyl)sulfonylpiperazin-2-one?
The IUPAC name of 4-(4-acetylphenyl)sulfonylpiperazin-2-one (CID 4884093) is 4-(4-acetylphenyl)sulfonylpiperazin-2-one.
What is the SMILES notation for 4-(4-acetylphenyl)sulfonylpiperazin-2-one?
The canonical SMILES for 4-(4-acetylphenyl)sulfonylpiperazin-2-one is CC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1.
What is the InChIKey of 4-(4-acetylphenyl)sulfonylpiperazin-2-one?
The InChIKey is QYJMQWOFXRRVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4S/c1-9(15)10-2-4-11(5-3-10)19(17,18)14-7-6-13-12(16)8-14/h2-5H,6-8H2,1H3,(H,13,16).
What are the key properties of 4-(4-acetylphenyl)sulfonylpiperazin-2-one?
4-(4-acetylphenyl)sulfonylpiperazin-2-one has a molecular weight of 282.32 g/mol, XLogP of 0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylphenyl)sulfonylpiperazin-2-one is sourced from PubChem (CID 4884093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).