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

C20H15F2NS — CID 126245854

IUPACN-(2,4-difluorophenyl)-1-[4-(4-methylphenyl)sulfanylphenyl]methanimine
SMILESCc1ccc(Sc2ccc(/C=N/c3ccc(F)cc3F)cc2)cc1
InChIInChI=1S/C20H15F2NS/c1-14-2-7-17(8-3-14)24-18-9-4-15(5-10-18)13-23-20-11-6-16(21)12-19(20)22/h2-13H,1H3/b23-13+
InChIKeyIFTRAVXVJXBJEX-YDZHTSKRSA-N
MW339.41 g/mol
LogP6.18
Rot. Bonds4

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

N-(2,4-difluorophenyl)-1-[4-(4-methylphenyl)sulfanylphenyl]methanimine (PubChem CID 126245854) has the molecular formula C20H15F2NS and a molecular weight of 339.41 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-1-[4-(4-methylphenyl)sulfanylphenyl]methanimine.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-1-[4-(4-methylphenyl)sulfanylphenyl]methanimine
PubChem CID126245854
Molecular FormulaC20H15F2NS
Molecular Weight339.41 g/mol
Exact Mass339.09
IUPAC NameN-(2,4-difluorophenyl)-1-[4-(4-methylphenyl)sulfanylphenyl]methanimine
SMILESCc1ccc(Sc2ccc(/C=N/c3ccc(F)cc3F)cc2)cc1
InChIInChI=1S/C20H15F2NS/c1-14-2-7-17(8-3-14)24-18-9-4-15(5-10-18)13-23-20-11-6-16(21)12-19(20)22/h2-13H,1H3/b23-13+
InChIKeyIFTRAVXVJXBJEX-YDZHTSKRSA-N
XLogP6.18
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.41
LogP ≤ 56.18
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 N-(2,4-difluorophenyl)-1-[4-(4-methylphenyl)sulfanylphenyl]methanimine?
The IUPAC name of N-(2,4-difluorophenyl)-1-[4-(4-methylphenyl)sulfanylphenyl]methanimine (CID 126245854) is N-(2,4-difluorophenyl)-1-[4-(4-methylphenyl)sulfanylphenyl]methanimine.
What is the SMILES notation for N-(2,4-difluorophenyl)-1-[4-(4-methylphenyl)sulfanylphenyl]methanimine?
The canonical SMILES for N-(2,4-difluorophenyl)-1-[4-(4-methylphenyl)sulfanylphenyl]methanimine is Cc1ccc(Sc2ccc(/C=N/c3ccc(F)cc3F)cc2)cc1.
What is the InChIKey of N-(2,4-difluorophenyl)-1-[4-(4-methylphenyl)sulfanylphenyl]methanimine?
The InChIKey is IFTRAVXVJXBJEX-YDZHTSKRSA-N. The full InChI is InChI=1S/C20H15F2NS/c1-14-2-7-17(8-3-14)24-18-9-4-15(5-10-18)13-23-20-11-6-16(21)12-19(20)22/h2-13H,1H3/b23-13+.
What are the key properties of N-(2,4-difluorophenyl)-1-[4-(4-methylphenyl)sulfanylphenyl]methanimine?
N-(2,4-difluorophenyl)-1-[4-(4-methylphenyl)sulfanylphenyl]methanimine has a molecular weight of 339.41 g/mol, XLogP of 6.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-1-[4-(4-methylphenyl)sulfanylphenyl]methanimine is sourced from PubChem (CID 126245854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).