1-[2-(3-amino-5-fluorophenyl)sulfonylethyl]pyridin-2-one

C13H13FN2O3S — CID 82906988

IUPAC1-[2-(3-amino-5-fluorophenyl)sulfonylethyl]pyridin-2-one
SMILESNc1cc(F)cc(S(=O)(=O)CCn2ccccc2=O)c1
InChIInChI=1S/C13H13FN2O3S/c14-10-7-11(15)9-12(8-10)20(18,19)6-5-16-4-2-1-3-13(16)17/h1-4,7-9H,5-6,15H2
InChIKeyFJBQBHYMLKOHHJ-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.04
Rot. Bonds4

About 1-[2-(3-amino-5-fluorophenyl)sulfonylethyl]pyridin-2-one

1-[2-(3-amino-5-fluorophenyl)sulfonylethyl]pyridin-2-one (PubChem CID 82906988) has the molecular formula C13H13FN2O3S and a molecular weight of 296.32 g/mol. Its IUPAC name is 1-[2-(3-amino-5-fluorophenyl)sulfonylethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(3-amino-5-fluorophenyl)sulfonylethyl]pyridin-2-one
PubChem CID82906988
Molecular FormulaC13H13FN2O3S
Molecular Weight296.32 g/mol
Exact Mass296.06
IUPAC Name1-[2-(3-amino-5-fluorophenyl)sulfonylethyl]pyridin-2-one
SMILESNc1cc(F)cc(S(=O)(=O)CCn2ccccc2=O)c1
InChIInChI=1S/C13H13FN2O3S/c14-10-7-11(15)9-12(8-10)20(18,19)6-5-16-4-2-1-3-13(16)17/h1-4,7-9H,5-6,15H2
InChIKeyFJBQBHYMLKOHHJ-UHFFFAOYSA-N
XLogP1.04
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-amino-5-fluorophenyl)sulfonylethyl]pyridin-2-one?
The IUPAC name of 1-[2-(3-amino-5-fluorophenyl)sulfonylethyl]pyridin-2-one (CID 82906988) is 1-[2-(3-amino-5-fluorophenyl)sulfonylethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-(3-amino-5-fluorophenyl)sulfonylethyl]pyridin-2-one?
The canonical SMILES for 1-[2-(3-amino-5-fluorophenyl)sulfonylethyl]pyridin-2-one is Nc1cc(F)cc(S(=O)(=O)CCn2ccccc2=O)c1.
What is the InChIKey of 1-[2-(3-amino-5-fluorophenyl)sulfonylethyl]pyridin-2-one?
The InChIKey is FJBQBHYMLKOHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O3S/c14-10-7-11(15)9-12(8-10)20(18,19)6-5-16-4-2-1-3-13(16)17/h1-4,7-9H,5-6,15H2.
What are the key properties of 1-[2-(3-amino-5-fluorophenyl)sulfonylethyl]pyridin-2-one?
1-[2-(3-amino-5-fluorophenyl)sulfonylethyl]pyridin-2-one has a molecular weight of 296.32 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-amino-5-fluorophenyl)sulfonylethyl]pyridin-2-one is sourced from PubChem (CID 82906988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).