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

C15H12ClFN2OS — CID 5409674

IUPAC2-(4-chlorophenyl)sulfanyl-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide
SMILESO=C(CSc1ccc(Cl)cc1)N/N=C\c1ccc(F)cc1
InChIInChI=1S/C15H12ClFN2OS/c16-12-3-7-14(8-4-12)21-10-15(20)19-18-9-11-1-5-13(17)6-2-11/h1-9H,10H2,(H,19,20)/b18-9-
InChIKeyBQTUXIKJYFSGIV-NVMNQCDNSA-N
MW322.79 g/mol
LogP3.72
Rot. Bonds5

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

2-(4-chlorophenyl)sulfanyl-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide (PubChem CID 5409674) has the molecular formula C15H12ClFN2OS and a molecular weight of 322.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide
PubChem CID5409674
Molecular FormulaC15H12ClFN2OS
Molecular Weight322.79 g/mol
Exact Mass322.03
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide
SMILESO=C(CSc1ccc(Cl)cc1)N/N=C\c1ccc(F)cc1
InChIInChI=1S/C15H12ClFN2OS/c16-12-3-7-14(8-4-12)21-10-15(20)19-18-9-11-1-5-13(17)6-2-11/h1-9H,10H2,(H,19,20)/b18-9-
InChIKeyBQTUXIKJYFSGIV-NVMNQCDNSA-N
XLogP3.72
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.79
LogP ≤ 53.72
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)-(4-fluorophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide (CID 5409674) is 2-(4-chlorophenyl)sulfanyl-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide is O=C(CSc1ccc(Cl)cc1)N/N=C\c1ccc(F)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide?
The InChIKey is BQTUXIKJYFSGIV-NVMNQCDNSA-N. The full InChI is InChI=1S/C15H12ClFN2OS/c16-12-3-7-14(8-4-12)21-10-15(20)19-18-9-11-1-5-13(17)6-2-11/h1-9H,10H2,(H,19,20)/b18-9-.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide?
2-(4-chlorophenyl)sulfanyl-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide has a molecular weight of 322.79 g/mol, XLogP of 3.72, 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)-(4-fluorophenyl)methylideneamino]acetamide is sourced from PubChem (CID 5409674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).