N'-(3,4-difluorophenyl)sulfonyl-2-(2-oxo-1-pyridinyl)acetohydrazide

C13H11F2N3O4S — CID 8843120

IUPACN'-(3,4-difluorophenyl)sulfonyl-2-(2-oxo-1-pyridinyl)acetohydrazide
SMILESO=C(Cn1ccccc1=O)NNS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C13H11F2N3O4S/c14-10-5-4-9(7-11(10)15)23(21,22)17-16-12(19)8-18-6-2-1-3-13(18)20/h1-7,17H,8H2,(H,16,19)
InChIKeyUJIOXAYRQPHFMB-UHFFFAOYSA-N
MW343.31 g/mol
LogP0.14
Rot. Bonds5

About N'-(3,4-difluorophenyl)sulfonyl-2-(2-oxo-1-pyridinyl)acetohydrazide

N'-(3,4-difluorophenyl)sulfonyl-2-(2-oxo-1-pyridinyl)acetohydrazide (PubChem CID 8843120) has the molecular formula C13H11F2N3O4S and a molecular weight of 343.31 g/mol. Its IUPAC name is N'-(3,4-difluorophenyl)sulfonyl-2-(2-oxo-1-pyridinyl)acetohydrazide.

Molecular Properties

Compound NameN'-(3,4-difluorophenyl)sulfonyl-2-(2-oxo-1-pyridinyl)acetohydrazide
PubChem CID8843120
Molecular FormulaC13H11F2N3O4S
Molecular Weight343.31 g/mol
Exact Mass343.04
IUPAC NameN'-(3,4-difluorophenyl)sulfonyl-2-(2-oxo-1-pyridinyl)acetohydrazide
SMILESO=C(Cn1ccccc1=O)NNS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C13H11F2N3O4S/c14-10-5-4-9(7-11(10)15)23(21,22)17-16-12(19)8-18-6-2-1-3-13(18)20/h1-7,17H,8H2,(H,16,19)
InChIKeyUJIOXAYRQPHFMB-UHFFFAOYSA-N
XLogP0.14
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(3,4-difluorophenyl)sulfonyl-2-(2-oxo-1-pyridinyl)acetohydrazide?
The IUPAC name of N'-(3,4-difluorophenyl)sulfonyl-2-(2-oxo-1-pyridinyl)acetohydrazide (CID 8843120) is N'-(3,4-difluorophenyl)sulfonyl-2-(2-oxo-1-pyridinyl)acetohydrazide.
What is the SMILES notation for N'-(3,4-difluorophenyl)sulfonyl-2-(2-oxo-1-pyridinyl)acetohydrazide?
The canonical SMILES for N'-(3,4-difluorophenyl)sulfonyl-2-(2-oxo-1-pyridinyl)acetohydrazide is O=C(Cn1ccccc1=O)NNS(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of N'-(3,4-difluorophenyl)sulfonyl-2-(2-oxo-1-pyridinyl)acetohydrazide?
The InChIKey is UJIOXAYRQPHFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3O4S/c14-10-5-4-9(7-11(10)15)23(21,22)17-16-12(19)8-18-6-2-1-3-13(18)20/h1-7,17H,8H2,(H,16,19).
What are the key properties of N'-(3,4-difluorophenyl)sulfonyl-2-(2-oxo-1-pyridinyl)acetohydrazide?
N'-(3,4-difluorophenyl)sulfonyl-2-(2-oxo-1-pyridinyl)acetohydrazide has a molecular weight of 343.31 g/mol, XLogP of 0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-difluorophenyl)sulfonyl-2-(2-oxo-1-pyridinyl)acetohydrazide is sourced from PubChem (CID 8843120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).