4-(4-methylphenyl)sulfonylpiperazine-2,6-dione

C11H12N2O4S — CID 726641

IUPAC4-(4-methylphenyl)sulfonylpiperazine-2,6-dione
SMILESCc1ccc(S(=O)(=O)N2CC(=O)NC(=O)C2)cc1
InChIInChI=1S/C11H12N2O4S/c1-8-2-4-9(5-3-8)18(16,17)13-6-10(14)12-11(15)7-13/h2-5H,6-7H2,1H3,(H,12,14,15)
InChIKeyZODNKYZBBHKZHE-UHFFFAOYSA-N
MW268.29 g/mol
LogP-0.36
Rot. Bonds2

About 4-(4-methylphenyl)sulfonylpiperazine-2,6-dione

4-(4-methylphenyl)sulfonylpiperazine-2,6-dione (PubChem CID 726641) has the molecular formula C11H12N2O4S and a molecular weight of 268.29 g/mol. Its IUPAC name is 4-(4-methylphenyl)sulfonylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(4-methylphenyl)sulfonylpiperazine-2,6-dione
PubChem CID726641
Molecular FormulaC11H12N2O4S
Molecular Weight268.29 g/mol
Exact Mass268.05
IUPAC Name4-(4-methylphenyl)sulfonylpiperazine-2,6-dione
SMILESCc1ccc(S(=O)(=O)N2CC(=O)NC(=O)C2)cc1
InChIInChI=1S/C11H12N2O4S/c1-8-2-4-9(5-3-8)18(16,17)13-6-10(14)12-11(15)7-13/h2-5H,6-7H2,1H3,(H,12,14,15)
InChIKeyZODNKYZBBHKZHE-UHFFFAOYSA-N
XLogP-0.36
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)sulfonylpiperazine-2,6-dione?
The IUPAC name of 4-(4-methylphenyl)sulfonylpiperazine-2,6-dione (CID 726641) is 4-(4-methylphenyl)sulfonylpiperazine-2,6-dione.
What is the SMILES notation for 4-(4-methylphenyl)sulfonylpiperazine-2,6-dione?
The canonical SMILES for 4-(4-methylphenyl)sulfonylpiperazine-2,6-dione is Cc1ccc(S(=O)(=O)N2CC(=O)NC(=O)C2)cc1.
What is the InChIKey of 4-(4-methylphenyl)sulfonylpiperazine-2,6-dione?
The InChIKey is ZODNKYZBBHKZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4S/c1-8-2-4-9(5-3-8)18(16,17)13-6-10(14)12-11(15)7-13/h2-5H,6-7H2,1H3,(H,12,14,15).
What are the key properties of 4-(4-methylphenyl)sulfonylpiperazine-2,6-dione?
4-(4-methylphenyl)sulfonylpiperazine-2,6-dione has a molecular weight of 268.29 g/mol, XLogP of -0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)sulfonylpiperazine-2,6-dione is sourced from PubChem (CID 726641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).