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

C10H11N3O4S — CID 593501

IUPAC4-(4-aminophenyl)sulfonylpiperazine-2,6-dione
SMILESNc1ccc(S(=O)(=O)N2CC(=O)NC(=O)C2)cc1
InChIInChI=1S/C10H11N3O4S/c11-7-1-3-8(4-2-7)18(16,17)13-5-9(14)12-10(15)6-13/h1-4H,5-6,11H2,(H,12,14,15)
InChIKeyFLFBAOVWRTUPPW-UHFFFAOYSA-N
MW269.28 g/mol
LogP-1.08
Rot. Bonds2

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

4-(4-aminophenyl)sulfonylpiperazine-2,6-dione (PubChem CID 593501) has the molecular formula C10H11N3O4S and a molecular weight of 269.28 g/mol. Its IUPAC name is 4-(4-aminophenyl)sulfonylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(4-aminophenyl)sulfonylpiperazine-2,6-dione
PubChem CID593501
Molecular FormulaC10H11N3O4S
Molecular Weight269.28 g/mol
Exact Mass269.05
IUPAC Name4-(4-aminophenyl)sulfonylpiperazine-2,6-dione
SMILESNc1ccc(S(=O)(=O)N2CC(=O)NC(=O)C2)cc1
InChIInChI=1S/C10H11N3O4S/c11-7-1-3-8(4-2-7)18(16,17)13-5-9(14)12-10(15)6-13/h1-4H,5-6,11H2,(H,12,14,15)
InChIKeyFLFBAOVWRTUPPW-UHFFFAOYSA-N
XLogP-1.08
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)sulfonylpiperazine-2,6-dione?
The IUPAC name of 4-(4-aminophenyl)sulfonylpiperazine-2,6-dione (CID 593501) is 4-(4-aminophenyl)sulfonylpiperazine-2,6-dione.
What is the SMILES notation for 4-(4-aminophenyl)sulfonylpiperazine-2,6-dione?
The canonical SMILES for 4-(4-aminophenyl)sulfonylpiperazine-2,6-dione is Nc1ccc(S(=O)(=O)N2CC(=O)NC(=O)C2)cc1.
What is the InChIKey of 4-(4-aminophenyl)sulfonylpiperazine-2,6-dione?
The InChIKey is FLFBAOVWRTUPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4S/c11-7-1-3-8(4-2-7)18(16,17)13-5-9(14)12-10(15)6-13/h1-4H,5-6,11H2,(H,12,14,15).
What are the key properties of 4-(4-aminophenyl)sulfonylpiperazine-2,6-dione?
4-(4-aminophenyl)sulfonylpiperazine-2,6-dione has a molecular weight of 269.28 g/mol, XLogP of -1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)sulfonylpiperazine-2,6-dione is sourced from PubChem (CID 593501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).