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

C20H15ClFNS — CID 126113305

IUPAC1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(4-fluoro-3-methylphenyl)methanimine
SMILESCc1cc(/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)ccc1F
InChIInChI=1S/C20H15ClFNS/c1-14-12-17(6-11-20(14)22)23-13-15-2-7-18(8-3-15)24-19-9-4-16(21)5-10-19/h2-13H,1H3/b23-13+
InChIKeyPKDKYTNTIHOUBO-YDZHTSKRSA-N
MW355.87 g/mol
LogP6.69
Rot. Bonds4

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

1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(4-fluoro-3-methylphenyl)methanimine (PubChem CID 126113305) has the molecular formula C20H15ClFNS and a molecular weight of 355.87 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(4-fluoro-3-methylphenyl)methanimine.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(4-fluoro-3-methylphenyl)methanimine
PubChem CID126113305
Molecular FormulaC20H15ClFNS
Molecular Weight355.87 g/mol
Exact Mass355.06
IUPAC Name1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(4-fluoro-3-methylphenyl)methanimine
SMILESCc1cc(/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)ccc1F
InChIInChI=1S/C20H15ClFNS/c1-14-12-17(6-11-20(14)22)23-13-15-2-7-18(8-3-15)24-19-9-4-16(21)5-10-19/h2-13H,1H3/b23-13+
InChIKeyPKDKYTNTIHOUBO-YDZHTSKRSA-N
XLogP6.69
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.87
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(4-fluoro-3-methylphenyl)methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(4-fluoro-3-methylphenyl)methanimine?
The IUPAC name of 1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(4-fluoro-3-methylphenyl)methanimine (CID 126113305) is 1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(4-fluoro-3-methylphenyl)methanimine.
What is the SMILES notation for 1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(4-fluoro-3-methylphenyl)methanimine?
The canonical SMILES for 1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(4-fluoro-3-methylphenyl)methanimine is Cc1cc(/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)ccc1F.
What is the InChIKey of 1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(4-fluoro-3-methylphenyl)methanimine?
The InChIKey is PKDKYTNTIHOUBO-YDZHTSKRSA-N. The full InChI is InChI=1S/C20H15ClFNS/c1-14-12-17(6-11-20(14)22)23-13-15-2-7-18(8-3-15)24-19-9-4-16(21)5-10-19/h2-13H,1H3/b23-13+.
What are the key properties of 1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(4-fluoro-3-methylphenyl)methanimine?
1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(4-fluoro-3-methylphenyl)methanimine has a molecular weight of 355.87 g/mol, XLogP of 6.69, 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-(4-fluoro-3-methylphenyl)methanimine is sourced from PubChem (CID 126113305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).