4-(4-aminophenyl)sulfonylpiperazin-2-one

C10H13N3O3S — CID 16783955

IUPAC4-(4-aminophenyl)sulfonylpiperazin-2-one
SMILESNc1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1
InChIInChI=1S/C10H13N3O3S/c11-8-1-3-9(4-2-8)17(15,16)13-6-5-12-10(14)7-13/h1-4H,5-7,11H2,(H,12,14)
InChIKeyDPPZOCXNKWKSCK-UHFFFAOYSA-N
MW255.30 g/mol
LogP-0.61
Rot. Bonds2

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

4-(4-aminophenyl)sulfonylpiperazin-2-one (PubChem CID 16783955) has the molecular formula C10H13N3O3S and a molecular weight of 255.30 g/mol. Its IUPAC name is 4-(4-aminophenyl)sulfonylpiperazin-2-one.

Molecular Properties

Compound Name4-(4-aminophenyl)sulfonylpiperazin-2-one
PubChem CID16783955
Molecular FormulaC10H13N3O3S
Molecular Weight255.30 g/mol
Exact Mass255.07
IUPAC Name4-(4-aminophenyl)sulfonylpiperazin-2-one
SMILESNc1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1
InChIInChI=1S/C10H13N3O3S/c11-8-1-3-9(4-2-8)17(15,16)13-6-5-12-10(14)7-13/h1-4H,5-7,11H2,(H,12,14)
InChIKeyDPPZOCXNKWKSCK-UHFFFAOYSA-N
XLogP-0.61
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)sulfonylpiperazin-2-one?
The IUPAC name of 4-(4-aminophenyl)sulfonylpiperazin-2-one (CID 16783955) is 4-(4-aminophenyl)sulfonylpiperazin-2-one.
What is the SMILES notation for 4-(4-aminophenyl)sulfonylpiperazin-2-one?
The canonical SMILES for 4-(4-aminophenyl)sulfonylpiperazin-2-one is Nc1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1.
What is the InChIKey of 4-(4-aminophenyl)sulfonylpiperazin-2-one?
The InChIKey is DPPZOCXNKWKSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S/c11-8-1-3-9(4-2-8)17(15,16)13-6-5-12-10(14)7-13/h1-4H,5-7,11H2,(H,12,14).
What are the key properties of 4-(4-aminophenyl)sulfonylpiperazin-2-one?
4-(4-aminophenyl)sulfonylpiperazin-2-one has a molecular weight of 255.30 g/mol, XLogP of -0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)sulfonylpiperazin-2-one is sourced from PubChem (CID 16783955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).