5-chloro-2-fluoro-N'-[2-(2-fluorophenyl)sulfanylacetyl]benzohydrazide

C15H11ClF2N2O2S — CID 9091331

IUPAC5-chloro-2-fluoro-N'-[2-(2-fluorophenyl)sulfanylacetyl]benzohydrazide
SMILESO=C(CSc1ccccc1F)NNC(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C15H11ClF2N2O2S/c16-9-5-6-11(17)10(7-9)15(22)20-19-14(21)8-23-13-4-2-1-3-12(13)18/h1-7H,8H2,(H,19,21)(H,20,22)
InChIKeyCOAVSNIMYLZDDQ-UHFFFAOYSA-N
MW356.78 g/mol
LogP3.17
Rot. Bonds4

About 5-chloro-2-fluoro-N'-[2-(2-fluorophenyl)sulfanylacetyl]benzohydrazide

5-chloro-2-fluoro-N'-[2-(2-fluorophenyl)sulfanylacetyl]benzohydrazide (PubChem CID 9091331) has the molecular formula C15H11ClF2N2O2S and a molecular weight of 356.78 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N'-[2-(2-fluorophenyl)sulfanylacetyl]benzohydrazide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N'-[2-(2-fluorophenyl)sulfanylacetyl]benzohydrazide
PubChem CID9091331
Molecular FormulaC15H11ClF2N2O2S
Molecular Weight356.78 g/mol
Exact Mass356.02
IUPAC Name5-chloro-2-fluoro-N'-[2-(2-fluorophenyl)sulfanylacetyl]benzohydrazide
SMILESO=C(CSc1ccccc1F)NNC(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C15H11ClF2N2O2S/c16-9-5-6-11(17)10(7-9)15(22)20-19-14(21)8-23-13-4-2-1-3-12(13)18/h1-7H,8H2,(H,19,21)(H,20,22)
InChIKeyCOAVSNIMYLZDDQ-UHFFFAOYSA-N
XLogP3.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.78
LogP ≤ 53.17
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 5-chloro-2-fluoro-N'-[2-(2-fluorophenyl)sulfanylacetyl]benzohydrazide?
The IUPAC name of 5-chloro-2-fluoro-N'-[2-(2-fluorophenyl)sulfanylacetyl]benzohydrazide (CID 9091331) is 5-chloro-2-fluoro-N'-[2-(2-fluorophenyl)sulfanylacetyl]benzohydrazide.
What is the SMILES notation for 5-chloro-2-fluoro-N'-[2-(2-fluorophenyl)sulfanylacetyl]benzohydrazide?
The canonical SMILES for 5-chloro-2-fluoro-N'-[2-(2-fluorophenyl)sulfanylacetyl]benzohydrazide is O=C(CSc1ccccc1F)NNC(=O)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-2-fluoro-N'-[2-(2-fluorophenyl)sulfanylacetyl]benzohydrazide?
The InChIKey is COAVSNIMYLZDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2N2O2S/c16-9-5-6-11(17)10(7-9)15(22)20-19-14(21)8-23-13-4-2-1-3-12(13)18/h1-7H,8H2,(H,19,21)(H,20,22).
What are the key properties of 5-chloro-2-fluoro-N'-[2-(2-fluorophenyl)sulfanylacetyl]benzohydrazide?
5-chloro-2-fluoro-N'-[2-(2-fluorophenyl)sulfanylacetyl]benzohydrazide has a molecular weight of 356.78 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N'-[2-(2-fluorophenyl)sulfanylacetyl]benzohydrazide is sourced from PubChem (CID 9091331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).