1-[2-(4-fluorophenyl)-2-oxoethyl]-4-oxopyridine-3-sulfonamide

C13H11FN2O4S — CID 46933745

IUPAC1-[2-(4-fluorophenyl)-2-oxoethyl]-4-oxopyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cn(CC(=O)c2ccc(F)cc2)ccc1=O
InChIInChI=1S/C13H11FN2O4S/c14-10-3-1-9(2-4-10)12(18)7-16-6-5-11(17)13(8-16)21(15,19)20/h1-6,8H,7H2,(H2,15,19,20)
InChIKeyXNMFNEMBFZSOEO-UHFFFAOYSA-N
MW310.31 g/mol
LogP0.52
Rot. Bonds4

About 1-[2-(4-fluorophenyl)-2-oxoethyl]-4-oxopyridine-3-sulfonamide

1-[2-(4-fluorophenyl)-2-oxoethyl]-4-oxopyridine-3-sulfonamide (PubChem CID 46933745) has the molecular formula C13H11FN2O4S and a molecular weight of 310.31 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-2-oxoethyl]-4-oxopyridine-3-sulfonamide.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-2-oxoethyl]-4-oxopyridine-3-sulfonamide
PubChem CID46933745
Molecular FormulaC13H11FN2O4S
Molecular Weight310.31 g/mol
Exact Mass310.04
IUPAC Name1-[2-(4-fluorophenyl)-2-oxoethyl]-4-oxopyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cn(CC(=O)c2ccc(F)cc2)ccc1=O
InChIInChI=1S/C13H11FN2O4S/c14-10-3-1-9(2-4-10)12(18)7-16-6-5-11(17)13(8-16)21(15,19)20/h1-6,8H,7H2,(H2,15,19,20)
InChIKeyXNMFNEMBFZSOEO-UHFFFAOYSA-N
XLogP0.52
TPSA99.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-2-oxoethyl]-4-oxopyridine-3-sulfonamide?
The IUPAC name of 1-[2-(4-fluorophenyl)-2-oxoethyl]-4-oxopyridine-3-sulfonamide (CID 46933745) is 1-[2-(4-fluorophenyl)-2-oxoethyl]-4-oxopyridine-3-sulfonamide.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-2-oxoethyl]-4-oxopyridine-3-sulfonamide?
The canonical SMILES for 1-[2-(4-fluorophenyl)-2-oxoethyl]-4-oxopyridine-3-sulfonamide is NS(=O)(=O)c1cn(CC(=O)c2ccc(F)cc2)ccc1=O.
What is the InChIKey of 1-[2-(4-fluorophenyl)-2-oxoethyl]-4-oxopyridine-3-sulfonamide?
The InChIKey is XNMFNEMBFZSOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O4S/c14-10-3-1-9(2-4-10)12(18)7-16-6-5-11(17)13(8-16)21(15,19)20/h1-6,8H,7H2,(H2,15,19,20).
What are the key properties of 1-[2-(4-fluorophenyl)-2-oxoethyl]-4-oxopyridine-3-sulfonamide?
1-[2-(4-fluorophenyl)-2-oxoethyl]-4-oxopyridine-3-sulfonamide has a molecular weight of 310.31 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-2-oxoethyl]-4-oxopyridine-3-sulfonamide is sourced from PubChem (CID 46933745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).