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

C10H9N3O6S — CID 726644

IUPAC4-(4-nitrophenyl)sulfonylpiperazine-2,6-dione
SMILESO=C1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC(=O)N1
InChIInChI=1S/C10H9N3O6S/c14-9-5-12(6-10(15)11-9)20(18,19)8-3-1-7(2-4-8)13(16)17/h1-4H,5-6H2,(H,11,14,15)
InChIKeyLBWNDIPOXJELLY-UHFFFAOYSA-N
MW299.26 g/mol
LogP-0.76
Rot. Bonds3

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

4-(4-nitrophenyl)sulfonylpiperazine-2,6-dione (PubChem CID 726644) has the molecular formula C10H9N3O6S and a molecular weight of 299.26 g/mol. Its IUPAC name is 4-(4-nitrophenyl)sulfonylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(4-nitrophenyl)sulfonylpiperazine-2,6-dione
PubChem CID726644
Molecular FormulaC10H9N3O6S
Molecular Weight299.26 g/mol
Exact Mass299.02
IUPAC Name4-(4-nitrophenyl)sulfonylpiperazine-2,6-dione
SMILESO=C1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC(=O)N1
InChIInChI=1S/C10H9N3O6S/c14-9-5-12(6-10(15)11-9)20(18,19)8-3-1-7(2-4-8)13(16)17/h1-4H,5-6H2,(H,11,14,15)
InChIKeyLBWNDIPOXJELLY-UHFFFAOYSA-N
XLogP-0.76
TPSA126.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-Methyl-4-[(4-nitrophenyl)sulfonyl]piperazine
CID 796442
2-[(4-aminobenzene)(2-methylpropyl)sulfonamido]-N-hydroxyacetamide
CID 10709434
N-[2-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]ethyl]-N'-phenyloxamide
CID 2883755
N-[4-(aminosulfonyl)phenyl]-2-(1-piperidinyl)acetamide
CID 661254
1-(2-Nitrobenzenesulfonyl)piperazine
CID 746514
N-(4-nitrophenyl)sulfonyl-2-(4-oxo-3-sulfamoyl-1-pyridinyl)acetamide
CID 71459359
1,4-Bis[(4-aminophenyl)sulfonyl]piperazine-2,5-dione
CID 145965593
N1-(4-[(3,5-Dioxopiperazino)sulfonyl]phenyl)acetamide
CID 726637
2-[benzenesulfonyl(methyl)amino]-N-(3-nitrophenyl)acetamide
CID 891802
N~1~-(3-nitrophenyl)-N~2~-(phenylsulfonyl)glycinamide
CID 893010
N-[4-(3-oxopiperazin-1-yl)sulfonylphenyl]acetamide
CID 2604516
N-(4-{[4-(4-nitrophenyl)piperazin-1-yl]sulfonyl}phenyl)acetamide
CID 2834849

Frequently Asked Questions

What is the IUPAC name of 4-(4-nitrophenyl)sulfonylpiperazine-2,6-dione?
The IUPAC name of 4-(4-nitrophenyl)sulfonylpiperazine-2,6-dione (CID 726644) is 4-(4-nitrophenyl)sulfonylpiperazine-2,6-dione.
What is the SMILES notation for 4-(4-nitrophenyl)sulfonylpiperazine-2,6-dione?
The canonical SMILES for 4-(4-nitrophenyl)sulfonylpiperazine-2,6-dione is O=C1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC(=O)N1.
What is the InChIKey of 4-(4-nitrophenyl)sulfonylpiperazine-2,6-dione?
The InChIKey is LBWNDIPOXJELLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O6S/c14-9-5-12(6-10(15)11-9)20(18,19)8-3-1-7(2-4-8)13(16)17/h1-4H,5-6H2,(H,11,14,15).
What are the key properties of 4-(4-nitrophenyl)sulfonylpiperazine-2,6-dione?
4-(4-nitrophenyl)sulfonylpiperazine-2,6-dione has a molecular weight of 299.26 g/mol, XLogP of -0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-nitrophenyl)sulfonylpiperazine-2,6-dione is sourced from PubChem (CID 726644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).