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

C20H15ClFNS — CID 126250389

IUPACN-(3-chloro-4-fluorophenyl)-1-[4-(4-methylphenyl)sulfanylphenyl]methanimine
SMILESCc1ccc(Sc2ccc(/C=N/c3ccc(F)c(Cl)c3)cc2)cc1
InChIInChI=1S/C20H15ClFNS/c1-14-2-7-17(8-3-14)24-18-9-4-15(5-10-18)13-23-16-6-11-20(22)19(21)12-16/h2-13H,1H3/b23-13+
InChIKeyZOCKXEHKOVHPAO-YDZHTSKRSA-N
MW355.87 g/mol
LogP6.69
Rot. Bonds4

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

N-(3-chloro-4-fluorophenyl)-1-[4-(4-methylphenyl)sulfanylphenyl]methanimine (PubChem CID 126250389) has the molecular formula C20H15ClFNS and a molecular weight of 355.87 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-1-[4-(4-methylphenyl)sulfanylphenyl]methanimine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-1-[4-(4-methylphenyl)sulfanylphenyl]methanimine
PubChem CID126250389
Molecular FormulaC20H15ClFNS
Molecular Weight355.87 g/mol
Exact Mass355.06
IUPAC NameN-(3-chloro-4-fluorophenyl)-1-[4-(4-methylphenyl)sulfanylphenyl]methanimine
SMILESCc1ccc(Sc2ccc(/C=N/c3ccc(F)c(Cl)c3)cc2)cc1
InChIInChI=1S/C20H15ClFNS/c1-14-2-7-17(8-3-14)24-18-9-4-15(5-10-18)13-23-16-6-11-20(22)19(21)12-16/h2-13H,1H3/b23-13+
InChIKeyZOCKXEHKOVHPAO-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'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-1-[4-(4-methylphenyl)sulfanylphenyl]methanimine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-1-[4-(4-methylphenyl)sulfanylphenyl]methanimine (CID 126250389) is N-(3-chloro-4-fluorophenyl)-1-[4-(4-methylphenyl)sulfanylphenyl]methanimine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-1-[4-(4-methylphenyl)sulfanylphenyl]methanimine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-1-[4-(4-methylphenyl)sulfanylphenyl]methanimine is Cc1ccc(Sc2ccc(/C=N/c3ccc(F)c(Cl)c3)cc2)cc1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-1-[4-(4-methylphenyl)sulfanylphenyl]methanimine?
The InChIKey is ZOCKXEHKOVHPAO-YDZHTSKRSA-N. The full InChI is InChI=1S/C20H15ClFNS/c1-14-2-7-17(8-3-14)24-18-9-4-15(5-10-18)13-23-16-6-11-20(22)19(21)12-16/h2-13H,1H3/b23-13+.
What are the key properties of N-(3-chloro-4-fluorophenyl)-1-[4-(4-methylphenyl)sulfanylphenyl]methanimine?
N-(3-chloro-4-fluorophenyl)-1-[4-(4-methylphenyl)sulfanylphenyl]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 N-(3-chloro-4-fluorophenyl)-1-[4-(4-methylphenyl)sulfanylphenyl]methanimine is sourced from PubChem (CID 126250389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).