2-(4-chlorophenyl)sulfanyl-N-[(Z)-(2,4-difluorophenyl)methylideneamino]acetamide

C15H11ClF2N2OS — CID 9121560

IUPAC2-(4-chlorophenyl)sulfanyl-N-[(Z)-(2,4-difluorophenyl)methylideneamino]acetamide
SMILESO=C(CSc1ccc(Cl)cc1)N/N=C\c1ccc(F)cc1F
InChIInChI=1S/C15H11ClF2N2OS/c16-11-2-5-13(6-3-11)22-9-15(21)20-19-8-10-1-4-12(17)7-14(10)18/h1-8H,9H2,(H,20,21)/b19-8-
InChIKeyIIRHNKVSMFYBEZ-UWVJOHFNSA-N
MW340.78 g/mol
LogP3.86
Rot. Bonds5

About 2-(4-chlorophenyl)sulfanyl-N-[(Z)-(2,4-difluorophenyl)methylideneamino]acetamide

2-(4-chlorophenyl)sulfanyl-N-[(Z)-(2,4-difluorophenyl)methylideneamino]acetamide (PubChem CID 9121560) has the molecular formula C15H11ClF2N2OS and a molecular weight of 340.78 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-[(Z)-(2,4-difluorophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-[(Z)-(2,4-difluorophenyl)methylideneamino]acetamide
PubChem CID9121560
Molecular FormulaC15H11ClF2N2OS
Molecular Weight340.78 g/mol
Exact Mass340.02
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-[(Z)-(2,4-difluorophenyl)methylideneamino]acetamide
SMILESO=C(CSc1ccc(Cl)cc1)N/N=C\c1ccc(F)cc1F
InChIInChI=1S/C15H11ClF2N2OS/c16-11-2-5-13(6-3-11)22-9-15(21)20-19-8-10-1-4-12(17)7-14(10)18/h1-8H,9H2,(H,20,21)/b19-8-
InChIKeyIIRHNKVSMFYBEZ-UWVJOHFNSA-N
XLogP3.86
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.78
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[(Z)-(2,4-difluorophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[(Z)-(2,4-difluorophenyl)methylideneamino]acetamide (CID 9121560) is 2-(4-chlorophenyl)sulfanyl-N-[(Z)-(2,4-difluorophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-[(Z)-(2,4-difluorophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-[(Z)-(2,4-difluorophenyl)methylideneamino]acetamide is O=C(CSc1ccc(Cl)cc1)N/N=C\c1ccc(F)cc1F.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-[(Z)-(2,4-difluorophenyl)methylideneamino]acetamide?
The InChIKey is IIRHNKVSMFYBEZ-UWVJOHFNSA-N. The full InChI is InChI=1S/C15H11ClF2N2OS/c16-11-2-5-13(6-3-11)22-9-15(21)20-19-8-10-1-4-12(17)7-14(10)18/h1-8H,9H2,(H,20,21)/b19-8-.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-[(Z)-(2,4-difluorophenyl)methylideneamino]acetamide?
2-(4-chlorophenyl)sulfanyl-N-[(Z)-(2,4-difluorophenyl)methylideneamino]acetamide has a molecular weight of 340.78 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-[(Z)-(2,4-difluorophenyl)methylideneamino]acetamide is sourced from PubChem (CID 9121560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).