1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(3-fluorophenyl)methanimine

C19H13ClFNS — CID 126123699

IUPAC1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(3-fluorophenyl)methanimine
SMILESFc1cccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)c1
InChIInChI=1S/C19H13ClFNS/c20-15-6-10-19(11-7-15)23-18-8-4-14(5-9-18)13-22-17-3-1-2-16(21)12-17/h1-13H/b22-13+
InChIKeyOJAAKQGVGPREMH-LPYMAVHISA-N
MW341.84 g/mol
LogP6.38
Rot. Bonds4

About 1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(3-fluorophenyl)methanimine

1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(3-fluorophenyl)methanimine (PubChem CID 126123699) has the molecular formula C19H13ClFNS and a molecular weight of 341.84 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(3-fluorophenyl)methanimine.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(3-fluorophenyl)methanimine
PubChem CID126123699
Molecular FormulaC19H13ClFNS
Molecular Weight341.84 g/mol
Exact Mass341.04
IUPAC Name1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(3-fluorophenyl)methanimine
SMILESFc1cccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)c1
InChIInChI=1S/C19H13ClFNS/c20-15-6-10-19(11-7-15)23-18-8-4-14(5-9-18)13-22-17-3-1-2-16(21)12-17/h1-13H/b22-13+
InChIKeyOJAAKQGVGPREMH-LPYMAVHISA-N
XLogP6.38
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.84
LogP ≤ 56.38
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-(3-fluorophenyl)methanimine?
The IUPAC name of 1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(3-fluorophenyl)methanimine (CID 126123699) is 1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(3-fluorophenyl)methanimine.
What is the SMILES notation for 1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(3-fluorophenyl)methanimine?
The canonical SMILES for 1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(3-fluorophenyl)methanimine is Fc1cccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)c1.
What is the InChIKey of 1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(3-fluorophenyl)methanimine?
The InChIKey is OJAAKQGVGPREMH-LPYMAVHISA-N. The full InChI is InChI=1S/C19H13ClFNS/c20-15-6-10-19(11-7-15)23-18-8-4-14(5-9-18)13-22-17-3-1-2-16(21)12-17/h1-13H/b22-13+.
What are the key properties of 1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(3-fluorophenyl)methanimine?
1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(3-fluorophenyl)methanimine has a molecular weight of 341.84 g/mol, XLogP of 6.38, 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-(3-fluorophenyl)methanimine is sourced from PubChem (CID 126123699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).