1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(2,4-difluorophenyl)methanimine

C19H12ClF2NS — CID 126105837

IUPAC1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(2,4-difluorophenyl)methanimine
SMILESFc1ccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)c(F)c1
InChIInChI=1S/C19H12ClF2NS/c20-14-3-8-17(9-4-14)24-16-6-1-13(2-7-16)12-23-19-10-5-15(21)11-18(19)22/h1-12H/b23-12+
InChIKeyTUHOZRLOQODOBY-FSJBWODESA-N
MW359.83 g/mol
LogP6.52
Rot. Bonds4

About 1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(2,4-difluorophenyl)methanimine

1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(2,4-difluorophenyl)methanimine (PubChem CID 126105837) has the molecular formula C19H12ClF2NS and a molecular weight of 359.83 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(2,4-difluorophenyl)methanimine.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(2,4-difluorophenyl)methanimine
PubChem CID126105837
Molecular FormulaC19H12ClF2NS
Molecular Weight359.83 g/mol
Exact Mass359.03
IUPAC Name1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(2,4-difluorophenyl)methanimine
SMILESFc1ccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)c(F)c1
InChIInChI=1S/C19H12ClF2NS/c20-14-3-8-17(9-4-14)24-16-6-1-13(2-7-16)12-23-19-10-5-15(21)11-18(19)22/h1-12H/b23-12+
InChIKeyTUHOZRLOQODOBY-FSJBWODESA-N
XLogP6.52
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.83
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(2,4-difluorophenyl)methanimine?
The IUPAC name of 1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(2,4-difluorophenyl)methanimine (CID 126105837) is 1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(2,4-difluorophenyl)methanimine.
What is the SMILES notation for 1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(2,4-difluorophenyl)methanimine?
The canonical SMILES for 1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(2,4-difluorophenyl)methanimine is Fc1ccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)c(F)c1.
What is the InChIKey of 1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(2,4-difluorophenyl)methanimine?
The InChIKey is TUHOZRLOQODOBY-FSJBWODESA-N. The full InChI is InChI=1S/C19H12ClF2NS/c20-14-3-8-17(9-4-14)24-16-6-1-13(2-7-16)12-23-19-10-5-15(21)11-18(19)22/h1-12H/b23-12+.
What are the key properties of 1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(2,4-difluorophenyl)methanimine?
1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(2,4-difluorophenyl)methanimine has a molecular weight of 359.83 g/mol, XLogP of 6.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(2,4-difluorophenyl)methanimine is sourced from PubChem (CID 126105837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).