4-chloro-N'-[2-(3,4-difluorophenyl)sulfanylacetyl]benzohydrazide

C15H11ClF2N2O2S — CID 7737055

IUPAC4-chloro-N'-[2-(3,4-difluorophenyl)sulfanylacetyl]benzohydrazide
SMILESO=C(CSc1ccc(F)c(F)c1)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClF2N2O2S/c16-10-3-1-9(2-4-10)15(22)20-19-14(21)8-23-11-5-6-12(17)13(18)7-11/h1-7H,8H2,(H,19,21)(H,20,22)
InChIKeyGFXBBJVGMKIUCM-UHFFFAOYSA-N
MW356.78 g/mol
LogP3.17
Rot. Bonds4

About 4-chloro-N'-[2-(3,4-difluorophenyl)sulfanylacetyl]benzohydrazide

4-chloro-N'-[2-(3,4-difluorophenyl)sulfanylacetyl]benzohydrazide (PubChem CID 7737055) has the molecular formula C15H11ClF2N2O2S and a molecular weight of 356.78 g/mol. Its IUPAC name is 4-chloro-N'-[2-(3,4-difluorophenyl)sulfanylacetyl]benzohydrazide.

Molecular Properties

Compound Name4-chloro-N'-[2-(3,4-difluorophenyl)sulfanylacetyl]benzohydrazide
PubChem CID7737055
Molecular FormulaC15H11ClF2N2O2S
Molecular Weight356.78 g/mol
Exact Mass356.02
IUPAC Name4-chloro-N'-[2-(3,4-difluorophenyl)sulfanylacetyl]benzohydrazide
SMILESO=C(CSc1ccc(F)c(F)c1)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClF2N2O2S/c16-10-3-1-9(2-4-10)15(22)20-19-14(21)8-23-11-5-6-12(17)13(18)7-11/h1-7H,8H2,(H,19,21)(H,20,22)
InChIKeyGFXBBJVGMKIUCM-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 4-chloro-N'-[2-(3,4-difluorophenyl)sulfanylacetyl]benzohydrazide?
The IUPAC name of 4-chloro-N'-[2-(3,4-difluorophenyl)sulfanylacetyl]benzohydrazide (CID 7737055) is 4-chloro-N'-[2-(3,4-difluorophenyl)sulfanylacetyl]benzohydrazide.
What is the SMILES notation for 4-chloro-N'-[2-(3,4-difluorophenyl)sulfanylacetyl]benzohydrazide?
The canonical SMILES for 4-chloro-N'-[2-(3,4-difluorophenyl)sulfanylacetyl]benzohydrazide is O=C(CSc1ccc(F)c(F)c1)NNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N'-[2-(3,4-difluorophenyl)sulfanylacetyl]benzohydrazide?
The InChIKey is GFXBBJVGMKIUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2N2O2S/c16-10-3-1-9(2-4-10)15(22)20-19-14(21)8-23-11-5-6-12(17)13(18)7-11/h1-7H,8H2,(H,19,21)(H,20,22).
What are the key properties of 4-chloro-N'-[2-(3,4-difluorophenyl)sulfanylacetyl]benzohydrazide?
4-chloro-N'-[2-(3,4-difluorophenyl)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 4-chloro-N'-[2-(3,4-difluorophenyl)sulfanylacetyl]benzohydrazide is sourced from PubChem (CID 7737055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).