[[2-oxo-1-(2-oxopropyl)-3-pyridinyl]amino] (2-fluorophenyl)methanesulfinate

C15H15FN2O4S — CID 22943348

IUPAC[[2-oxo-1-(2-oxopropyl)-3-pyridinyl]amino] (2-fluorophenyl)methanesulfinate
SMILESCC(=O)Cn1cccc(NOS(=O)Cc2ccccc2F)c1=O
InChIInChI=1S/C15H15FN2O4S/c1-11(19)9-18-8-4-7-14(15(18)20)17-22-23(21)10-12-5-2-3-6-13(12)16/h2-8,17H,9-10H2,1H3
InChIKeyLCNOQOWMXZIYBQ-UHFFFAOYSA-N
MW338.36 g/mol
LogP1.78
Rot. Bonds7

About [[2-oxo-1-(2-oxopropyl)-3-pyridinyl]amino] (2-fluorophenyl)methanesulfinate

[[2-oxo-1-(2-oxopropyl)-3-pyridinyl]amino] (2-fluorophenyl)methanesulfinate (PubChem CID 22943348) has the molecular formula C15H15FN2O4S and a molecular weight of 338.36 g/mol. Its IUPAC name is [[2-oxo-1-(2-oxopropyl)-3-pyridinyl]amino] (2-fluorophenyl)methanesulfinate.

Molecular Properties

Compound Name[[2-oxo-1-(2-oxopropyl)-3-pyridinyl]amino] (2-fluorophenyl)methanesulfinate
PubChem CID22943348
Molecular FormulaC15H15FN2O4S
Molecular Weight338.36 g/mol
Exact Mass338.07
IUPAC Name[[2-oxo-1-(2-oxopropyl)-3-pyridinyl]amino] (2-fluorophenyl)methanesulfinate
SMILESCC(=O)Cn1cccc(NOS(=O)Cc2ccccc2F)c1=O
InChIInChI=1S/C15H15FN2O4S/c1-11(19)9-18-8-4-7-14(15(18)20)17-22-23(21)10-12-5-2-3-6-13(12)16/h2-8,17H,9-10H2,1H3
InChIKeyLCNOQOWMXZIYBQ-UHFFFAOYSA-N
XLogP1.78
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [[2-oxo-1-(2-oxopropyl)-3-pyridinyl]amino] (2-fluorophenyl)methanesulfinate?
The IUPAC name of [[2-oxo-1-(2-oxopropyl)-3-pyridinyl]amino] (2-fluorophenyl)methanesulfinate (CID 22943348) is [[2-oxo-1-(2-oxopropyl)-3-pyridinyl]amino] (2-fluorophenyl)methanesulfinate.
What is the SMILES notation for [[2-oxo-1-(2-oxopropyl)-3-pyridinyl]amino] (2-fluorophenyl)methanesulfinate?
The canonical SMILES for [[2-oxo-1-(2-oxopropyl)-3-pyridinyl]amino] (2-fluorophenyl)methanesulfinate is CC(=O)Cn1cccc(NOS(=O)Cc2ccccc2F)c1=O.
What is the InChIKey of [[2-oxo-1-(2-oxopropyl)-3-pyridinyl]amino] (2-fluorophenyl)methanesulfinate?
The InChIKey is LCNOQOWMXZIYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O4S/c1-11(19)9-18-8-4-7-14(15(18)20)17-22-23(21)10-12-5-2-3-6-13(12)16/h2-8,17H,9-10H2,1H3.
What are the key properties of [[2-oxo-1-(2-oxopropyl)-3-pyridinyl]amino] (2-fluorophenyl)methanesulfinate?
[[2-oxo-1-(2-oxopropyl)-3-pyridinyl]amino] (2-fluorophenyl)methanesulfinate has a molecular weight of 338.36 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-oxo-1-(2-oxopropyl)-3-pyridinyl]amino] (2-fluorophenyl)methanesulfinate is sourced from PubChem (CID 22943348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).