N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-phenylacetohydrazide

C16H15FN2O2S — CID 7969870

IUPACN'-[2-(2-fluorophenyl)sulfanylacetyl]-2-phenylacetohydrazide
SMILESO=C(CSc1ccccc1F)NNC(=O)Cc1ccccc1
InChIInChI=1S/C16H15FN2O2S/c17-13-8-4-5-9-14(13)22-11-16(21)19-18-15(20)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,18,20)(H,19,21)
InChIKeyZWSQOKHRLIRLTQ-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.31
Rot. Bonds5

About N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-phenylacetohydrazide

N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-phenylacetohydrazide (PubChem CID 7969870) has the molecular formula C16H15FN2O2S and a molecular weight of 318.37 g/mol. Its IUPAC name is N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-phenylacetohydrazide.

Molecular Properties

Compound NameN'-[2-(2-fluorophenyl)sulfanylacetyl]-2-phenylacetohydrazide
PubChem CID7969870
Molecular FormulaC16H15FN2O2S
Molecular Weight318.37 g/mol
Exact Mass318.08
IUPAC NameN'-[2-(2-fluorophenyl)sulfanylacetyl]-2-phenylacetohydrazide
SMILESO=C(CSc1ccccc1F)NNC(=O)Cc1ccccc1
InChIInChI=1S/C16H15FN2O2S/c17-13-8-4-5-9-14(13)22-11-16(21)19-18-15(20)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,18,20)(H,19,21)
InChIKeyZWSQOKHRLIRLTQ-UHFFFAOYSA-N
XLogP2.31
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'-[2-(2-fluorophenyl)sulfanylacetyl]-2-phenylacetohydrazide?
The IUPAC name of N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-phenylacetohydrazide (CID 7969870) is N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-phenylacetohydrazide.
What is the SMILES notation for N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-phenylacetohydrazide?
The canonical SMILES for N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-phenylacetohydrazide is O=C(CSc1ccccc1F)NNC(=O)Cc1ccccc1.
What is the InChIKey of N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-phenylacetohydrazide?
The InChIKey is ZWSQOKHRLIRLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2S/c17-13-8-4-5-9-14(13)22-11-16(21)19-18-15(20)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,18,20)(H,19,21).
What are the key properties of N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-phenylacetohydrazide?
N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-phenylacetohydrazide has a molecular weight of 318.37 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-phenylacetohydrazide is sourced from PubChem (CID 7969870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).