1-(4-fluoro-2-nitrophenyl)sulfonylpiperazin-2-one

C10H10FN3O5S — CID 22222422

IUPAC1-(4-fluoro-2-nitrophenyl)sulfonylpiperazin-2-one
SMILESO=C1CNCCN1S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C10H10FN3O5S/c11-7-1-2-9(8(5-7)14(16)17)20(18,19)13-4-3-12-6-10(13)15/h1-2,5,12H,3-4,6H2
InChIKeyUGTQCLAHGDPRAV-UHFFFAOYSA-N
MW303.27 g/mol
LogP-0.15
Rot. Bonds3

About 1-(4-fluoro-2-nitrophenyl)sulfonylpiperazin-2-one

1-(4-fluoro-2-nitrophenyl)sulfonylpiperazin-2-one (PubChem CID 22222422) has the molecular formula C10H10FN3O5S and a molecular weight of 303.27 g/mol. Its IUPAC name is 1-(4-fluoro-2-nitrophenyl)sulfonylpiperazin-2-one.

Molecular Properties

Compound Name1-(4-fluoro-2-nitrophenyl)sulfonylpiperazin-2-one
PubChem CID22222422
Molecular FormulaC10H10FN3O5S
Molecular Weight303.27 g/mol
Exact Mass303.03
IUPAC Name1-(4-fluoro-2-nitrophenyl)sulfonylpiperazin-2-one
SMILESO=C1CNCCN1S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C10H10FN3O5S/c11-7-1-2-9(8(5-7)14(16)17)20(18,19)13-4-3-12-6-10(13)15/h1-2,5,12H,3-4,6H2
InChIKeyUGTQCLAHGDPRAV-UHFFFAOYSA-N
XLogP-0.15
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 5-0.15
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'}

Analyze 1-(4-fluoro-2-nitrophenyl)sulfonylpiperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-nitrophenyl)sulfonylpiperazin-2-one?
The IUPAC name of 1-(4-fluoro-2-nitrophenyl)sulfonylpiperazin-2-one (CID 22222422) is 1-(4-fluoro-2-nitrophenyl)sulfonylpiperazin-2-one.
What is the SMILES notation for 1-(4-fluoro-2-nitrophenyl)sulfonylpiperazin-2-one?
The canonical SMILES for 1-(4-fluoro-2-nitrophenyl)sulfonylpiperazin-2-one is O=C1CNCCN1S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-].
What is the InChIKey of 1-(4-fluoro-2-nitrophenyl)sulfonylpiperazin-2-one?
The InChIKey is UGTQCLAHGDPRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O5S/c11-7-1-2-9(8(5-7)14(16)17)20(18,19)13-4-3-12-6-10(13)15/h1-2,5,12H,3-4,6H2.
What are the key properties of 1-(4-fluoro-2-nitrophenyl)sulfonylpiperazin-2-one?
1-(4-fluoro-2-nitrophenyl)sulfonylpiperazin-2-one has a molecular weight of 303.27 g/mol, XLogP of -0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-nitrophenyl)sulfonylpiperazin-2-one is sourced from PubChem (CID 22222422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).