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

C19H12Cl2FNS — CID 126111606

IUPACN-(3-chloro-4-fluorophenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine
SMILESFc1ccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)cc1Cl
InChIInChI=1S/C19H12Cl2FNS/c20-14-3-8-17(9-4-14)24-16-6-1-13(2-7-16)12-23-15-5-10-19(22)18(21)11-15/h1-12H/b23-12+
InChIKeyLZQMUMVUCMVVRO-FSJBWODESA-N
MW376.28 g/mol
LogP7.03
Rot. Bonds4

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

N-(3-chloro-4-fluorophenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine (PubChem CID 126111606) has the molecular formula C19H12Cl2FNS and a molecular weight of 376.28 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine
PubChem CID126111606
Molecular FormulaC19H12Cl2FNS
Molecular Weight376.28 g/mol
Exact Mass375.01
IUPAC NameN-(3-chloro-4-fluorophenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine
SMILESFc1ccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)cc1Cl
InChIInChI=1S/C19H12Cl2FNS/c20-14-3-8-17(9-4-14)24-16-6-1-13(2-7-16)12-23-15-5-10-19(22)18(21)11-15/h1-12H/b23-12+
InChIKeyLZQMUMVUCMVVRO-FSJBWODESA-N
XLogP7.03
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.28
LogP ≤ 57.03
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-chlorophenyl)sulfanylphenyl]methanimine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine (CID 126111606) is N-(3-chloro-4-fluorophenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine is Fc1ccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine?
The InChIKey is LZQMUMVUCMVVRO-FSJBWODESA-N. The full InChI is InChI=1S/C19H12Cl2FNS/c20-14-3-8-17(9-4-14)24-16-6-1-13(2-7-16)12-23-15-5-10-19(22)18(21)11-15/h1-12H/b23-12+.
What are the key properties of N-(3-chloro-4-fluorophenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine?
N-(3-chloro-4-fluorophenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine has a molecular weight of 376.28 g/mol, XLogP of 7.03, 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-chlorophenyl)sulfanylphenyl]methanimine is sourced from PubChem (CID 126111606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).