N'-(3-fluorophenyl)sulfonyl-2-(2-oxo-1-pyridinyl)acetohydrazide

C13H12FN3O4S — CID 8842972

IUPACN'-(3-fluorophenyl)sulfonyl-2-(2-oxo-1-pyridinyl)acetohydrazide
SMILESC1=CC(=O)N(C=C1)CC(=O)NNS(=O)(=O)C2=CC=CC(=C2)F
InChIInChI=1S/C13H12FN3O4S/c14-10-4-3-5-11(8-10)22(20,21)16-15-12(18)9-17-7-2-1-6-13(17)19/h1-8,16H,9H2,(H,15,18)
InChIKeyIMZSZNXLXZSBMA-UHFFFAOYSA-N
MW325.32 g/mol
LogP0.70
Rot. Bonds5

About N'-(3-fluorophenyl)sulfonyl-2-(2-oxo-1-pyridinyl)acetohydrazide

N'-(3-fluorophenyl)sulfonyl-2-(2-oxo-1-pyridinyl)acetohydrazide (PubChem CID 8842972) has the molecular formula C13H12FN3O4S and a molecular weight of 325.32 g/mol. Its IUPAC name is N'-(3-fluorophenyl)sulfonyl-2-(2-oxo-1-pyridinyl)acetohydrazide.

Molecular Properties

Compound NameN'-(3-fluorophenyl)sulfonyl-2-(2-oxo-1-pyridinyl)acetohydrazide
PubChem CID8842972
Molecular FormulaC13H12FN3O4S
Molecular Weight325.32 g/mol
Exact Mass325.05
IUPAC NameN'-(3-fluorophenyl)sulfonyl-2-(2-oxo-1-pyridinyl)acetohydrazide
SMILESC1=CC(=O)N(C=C1)CC(=O)NNS(=O)(=O)C2=CC=CC(=C2)F
InChIInChI=1S/C13H12FN3O4S/c14-10-4-3-5-11(8-10)22(20,21)16-15-12(18)9-17-7-2-1-6-13(17)19/h1-8,16H,9H2,(H,15,18)
InChIKeyIMZSZNXLXZSBMA-UHFFFAOYSA-N
XLogP0.70
TPSA104.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity597

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-fluorophenyl)sulfonyl-2-(2-oxo-1-pyridinyl)acetohydrazide?
The IUPAC name of N'-(3-fluorophenyl)sulfonyl-2-(2-oxo-1-pyridinyl)acetohydrazide (CID 8842972) is N'-(3-fluorophenyl)sulfonyl-2-(2-oxo-1-pyridinyl)acetohydrazide.
What is the SMILES notation for N'-(3-fluorophenyl)sulfonyl-2-(2-oxo-1-pyridinyl)acetohydrazide?
The canonical SMILES for N'-(3-fluorophenyl)sulfonyl-2-(2-oxo-1-pyridinyl)acetohydrazide is C1=CC(=O)N(C=C1)CC(=O)NNS(=O)(=O)C2=CC=CC(=C2)F.
What is the InChIKey of N'-(3-fluorophenyl)sulfonyl-2-(2-oxo-1-pyridinyl)acetohydrazide?
The InChIKey is IMZSZNXLXZSBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O4S/c14-10-4-3-5-11(8-10)22(20,21)16-15-12(18)9-17-7-2-1-6-13(17)19/h1-8,16H,9H2,(H,15,18).
What are the key properties of N'-(3-fluorophenyl)sulfonyl-2-(2-oxo-1-pyridinyl)acetohydrazide?
N'-(3-fluorophenyl)sulfonyl-2-(2-oxo-1-pyridinyl)acetohydrazide has a molecular weight of 325.32 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-fluorophenyl)sulfonyl-2-(2-oxo-1-pyridinyl)acetohydrazide is sourced from PubChem (CID 8842972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).