2-(2-oxo-1-pyridinyl)-N'-(2,3,4-trifluorophenyl)sulfonylacetohydrazide

C13H10F3N3O4S — CID 8843043

IUPAC2-(2-oxo-1-pyridinyl)-N'-(2,3,4-trifluorophenyl)sulfonylacetohydrazide
SMILESO=C(Cn1ccccc1=O)NNS(=O)(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H10F3N3O4S/c14-8-4-5-9(13(16)12(8)15)24(22,23)18-17-10(20)7-19-6-2-1-3-11(19)21/h1-6,18H,7H2,(H,17,20)
InChIKeyZVZUBMGXCCKWFU-UHFFFAOYSA-N
MW361.30 g/mol
LogP0.28
Rot. Bonds5

About 2-(2-oxo-1-pyridinyl)-N'-(2,3,4-trifluorophenyl)sulfonylacetohydrazide

2-(2-oxo-1-pyridinyl)-N'-(2,3,4-trifluorophenyl)sulfonylacetohydrazide (PubChem CID 8843043) has the molecular formula C13H10F3N3O4S and a molecular weight of 361.30 g/mol. Its IUPAC name is 2-(2-oxo-1-pyridinyl)-N'-(2,3,4-trifluorophenyl)sulfonylacetohydrazide.

Molecular Properties

Compound Name2-(2-oxo-1-pyridinyl)-N'-(2,3,4-trifluorophenyl)sulfonylacetohydrazide
PubChem CID8843043
Molecular FormulaC13H10F3N3O4S
Molecular Weight361.30 g/mol
Exact Mass361.03
IUPAC Name2-(2-oxo-1-pyridinyl)-N'-(2,3,4-trifluorophenyl)sulfonylacetohydrazide
SMILESO=C(Cn1ccccc1=O)NNS(=O)(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H10F3N3O4S/c14-8-4-5-9(13(16)12(8)15)24(22,23)18-17-10(20)7-19-6-2-1-3-11(19)21/h1-6,18H,7H2,(H,17,20)
InChIKeyZVZUBMGXCCKWFU-UHFFFAOYSA-N
XLogP0.28
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.30
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1-pyridinyl)-N'-(2,3,4-trifluorophenyl)sulfonylacetohydrazide?
The IUPAC name of 2-(2-oxo-1-pyridinyl)-N'-(2,3,4-trifluorophenyl)sulfonylacetohydrazide (CID 8843043) is 2-(2-oxo-1-pyridinyl)-N'-(2,3,4-trifluorophenyl)sulfonylacetohydrazide.
What is the SMILES notation for 2-(2-oxo-1-pyridinyl)-N'-(2,3,4-trifluorophenyl)sulfonylacetohydrazide?
The canonical SMILES for 2-(2-oxo-1-pyridinyl)-N'-(2,3,4-trifluorophenyl)sulfonylacetohydrazide is O=C(Cn1ccccc1=O)NNS(=O)(=O)c1ccc(F)c(F)c1F.
What is the InChIKey of 2-(2-oxo-1-pyridinyl)-N'-(2,3,4-trifluorophenyl)sulfonylacetohydrazide?
The InChIKey is ZVZUBMGXCCKWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O4S/c14-8-4-5-9(13(16)12(8)15)24(22,23)18-17-10(20)7-19-6-2-1-3-11(19)21/h1-6,18H,7H2,(H,17,20).
What are the key properties of 2-(2-oxo-1-pyridinyl)-N'-(2,3,4-trifluorophenyl)sulfonylacetohydrazide?
2-(2-oxo-1-pyridinyl)-N'-(2,3,4-trifluorophenyl)sulfonylacetohydrazide has a molecular weight of 361.30 g/mol, XLogP of 0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1-pyridinyl)-N'-(2,3,4-trifluorophenyl)sulfonylacetohydrazide is sourced from PubChem (CID 8843043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).