4-(benzenesulfonyl)piperazine-2,6-dione

C10H10N2O4S — CID 726645

IUPAC4-(benzenesulfonyl)piperazine-2,6-dione
SMILESO=C1CN(S(=O)(=O)c2ccccc2)CC(=O)N1
InChIInChI=1S/C10H10N2O4S/c13-9-6-12(7-10(14)11-9)17(15,16)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,13,14)
InChIKeyAWLRIURXOVHWIG-UHFFFAOYSA-N
MW254.27 g/mol
LogP-0.67
Rot. Bonds2

About 4-(benzenesulfonyl)piperazine-2,6-dione

4-(benzenesulfonyl)piperazine-2,6-dione (PubChem CID 726645) has the molecular formula C10H10N2O4S and a molecular weight of 254.27 g/mol. Its IUPAC name is 4-(benzenesulfonyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(benzenesulfonyl)piperazine-2,6-dione
PubChem CID726645
Molecular FormulaC10H10N2O4S
Molecular Weight254.27 g/mol
Exact Mass254.04
IUPAC Name4-(benzenesulfonyl)piperazine-2,6-dione
SMILESO=C1CN(S(=O)(=O)c2ccccc2)CC(=O)N1
InChIInChI=1S/C10H10N2O4S/c13-9-6-12(7-10(14)11-9)17(15,16)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,13,14)
InChIKeyAWLRIURXOVHWIG-UHFFFAOYSA-N
XLogP-0.67
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 5-0.67
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-(benzenesulfonyl)piperazine-2,6-dione?
The IUPAC name of 4-(benzenesulfonyl)piperazine-2,6-dione (CID 726645) is 4-(benzenesulfonyl)piperazine-2,6-dione.
What is the SMILES notation for 4-(benzenesulfonyl)piperazine-2,6-dione?
The canonical SMILES for 4-(benzenesulfonyl)piperazine-2,6-dione is O=C1CN(S(=O)(=O)c2ccccc2)CC(=O)N1.
What is the InChIKey of 4-(benzenesulfonyl)piperazine-2,6-dione?
The InChIKey is AWLRIURXOVHWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4S/c13-9-6-12(7-10(14)11-9)17(15,16)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,13,14).
What are the key properties of 4-(benzenesulfonyl)piperazine-2,6-dione?
4-(benzenesulfonyl)piperazine-2,6-dione has a molecular weight of 254.27 g/mol, XLogP of -0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)piperazine-2,6-dione is sourced from PubChem (CID 726645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).