2-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]-6-oxo-1H-pyridine-3-carboxamide

C16H17FN2O4S — CID 157011437

IUPAC2-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCCc1[nH]c(=O)ccc1C(=O)NCCS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H17FN2O4S/c1-2-14-13(7-8-15(20)19-14)16(21)18-9-10-24(22,23)12-5-3-11(17)4-6-12/h3-8H,2,9-10H2,1H3,(H,18,21)(H,19,20)
InChIKeyQMNJFBDELRFKKD-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.28
Rot. Bonds6

About 2-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]-6-oxo-1H-pyridine-3-carboxamide

2-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 157011437) has the molecular formula C16H17FN2O4S and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID157011437
Molecular FormulaC16H17FN2O4S
Molecular Weight352.39 g/mol
Exact Mass352.09
IUPAC Name2-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCCc1[nH]c(=O)ccc1C(=O)NCCS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H17FN2O4S/c1-2-14-13(7-8-15(20)19-14)16(21)18-9-10-24(22,23)12-5-3-11(17)4-6-12/h3-8H,2,9-10H2,1H3,(H,18,21)(H,19,20)
InChIKeyQMNJFBDELRFKKD-UHFFFAOYSA-N
XLogP1.28
TPSA96.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 2-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]-6-oxo-1H-pyridine-3-carboxamide (CID 157011437) is 2-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]-6-oxo-1H-pyridine-3-carboxamide is CCc1[nH]c(=O)ccc1C(=O)NCCS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is QMNJFBDELRFKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O4S/c1-2-14-13(7-8-15(20)19-14)16(21)18-9-10-24(22,23)12-5-3-11(17)4-6-12/h3-8H,2,9-10H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 2-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]-6-oxo-1H-pyridine-3-carboxamide?
2-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 157011437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).