1-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]-2-oxopyridine-4-carboxamide

C16H17FN2O4S — CID 77096649

IUPAC1-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]-2-oxopyridine-4-carboxamide
SMILESCCn1ccc(C(=O)NCCS(=O)(=O)c2ccc(F)cc2)cc1=O
InChIInChI=1S/C16H17FN2O4S/c1-2-19-9-7-12(11-15(19)20)16(21)18-8-10-24(22,23)14-5-3-13(17)4-6-14/h3-7,9,11H,2,8,10H2,1H3,(H,18,21)
InChIKeyBBYRXDDYDTXHGZ-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.21
Rot. Bonds6

About 1-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]-2-oxopyridine-4-carboxamide

1-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]-2-oxopyridine-4-carboxamide (PubChem CID 77096649) has the molecular formula C16H17FN2O4S and a molecular weight of 352.39 g/mol. Its IUPAC name is 1-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]-2-oxopyridine-4-carboxamide
PubChem CID77096649
Molecular FormulaC16H17FN2O4S
Molecular Weight352.39 g/mol
Exact Mass352.09
IUPAC Name1-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]-2-oxopyridine-4-carboxamide
SMILESCCn1ccc(C(=O)NCCS(=O)(=O)c2ccc(F)cc2)cc1=O
InChIInChI=1S/C16H17FN2O4S/c1-2-19-9-7-12(11-15(19)20)16(21)18-8-10-24(22,23)14-5-3-13(17)4-6-14/h3-7,9,11H,2,8,10H2,1H3,(H,18,21)
InChIKeyBBYRXDDYDTXHGZ-UHFFFAOYSA-N
XLogP1.21
TPSA85.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]-2-oxopyridine-4-carboxamide?
The IUPAC name of 1-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]-2-oxopyridine-4-carboxamide (CID 77096649) is 1-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]-2-oxopyridine-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]-2-oxopyridine-4-carboxamide?
The canonical SMILES for 1-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]-2-oxopyridine-4-carboxamide is CCn1ccc(C(=O)NCCS(=O)(=O)c2ccc(F)cc2)cc1=O.
What is the InChIKey of 1-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]-2-oxopyridine-4-carboxamide?
The InChIKey is BBYRXDDYDTXHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O4S/c1-2-19-9-7-12(11-15(19)20)16(21)18-8-10-24(22,23)14-5-3-13(17)4-6-14/h3-7,9,11H,2,8,10H2,1H3,(H,18,21).
What are the key properties of 1-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]-2-oxopyridine-4-carboxamide?
1-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]-2-oxopyridine-4-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 77096649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).