(E)-N-(3-chlorophenyl)-1-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanylprop-2-en-1-imine

C21H14Cl2FNS — CID 87604088

IUPAC(E)-N-(3-chlorophenyl)-1-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanylprop-2-en-1-imine
SMILESFc1ccc(S/C=C/C(=N\c2cccc(Cl)c2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H14Cl2FNS/c22-16-6-4-15(5-7-16)21(25-19-3-1-2-17(23)14-19)12-13-26-20-10-8-18(24)9-11-20/h1-14H/b13-12+,25-21+
InChIKeyHSBWQTDHVFTHNT-RFHYUVJJSA-N
MW402.32 g/mol
LogP7.56
Rot. Bonds5

About (E)-N-(3-chlorophenyl)-1-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanylprop-2-en-1-imine

(E)-N-(3-chlorophenyl)-1-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanylprop-2-en-1-imine (PubChem CID 87604088) has the molecular formula C21H14Cl2FNS and a molecular weight of 402.32 g/mol. Its IUPAC name is (E)-N-(3-chlorophenyl)-1-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanylprop-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-(3-chlorophenyl)-1-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanylprop-2-en-1-imine
PubChem CID87604088
Molecular FormulaC21H14Cl2FNS
Molecular Weight402.32 g/mol
Exact Mass401.02
IUPAC Name(E)-N-(3-chlorophenyl)-1-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanylprop-2-en-1-imine
SMILESFc1ccc(S/C=C/C(=N\c2cccc(Cl)c2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H14Cl2FNS/c22-16-6-4-15(5-7-16)21(25-19-3-1-2-17(23)14-19)12-13-26-20-10-8-18(24)9-11-20/h1-14H/b13-12+,25-21+
InChIKeyHSBWQTDHVFTHNT-RFHYUVJJSA-N
XLogP7.56
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.32
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-N-(3-chlorophenyl)-1-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanylprop-2-en-1-imine 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 (E)-N-(3-chlorophenyl)-1-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanylprop-2-en-1-imine?
The IUPAC name of (E)-N-(3-chlorophenyl)-1-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanylprop-2-en-1-imine (CID 87604088) is (E)-N-(3-chlorophenyl)-1-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanylprop-2-en-1-imine.
What is the SMILES notation for (E)-N-(3-chlorophenyl)-1-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanylprop-2-en-1-imine?
The canonical SMILES for (E)-N-(3-chlorophenyl)-1-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanylprop-2-en-1-imine is Fc1ccc(S/C=C/C(=N\c2cccc(Cl)c2)c2ccc(Cl)cc2)cc1.
What is the InChIKey of (E)-N-(3-chlorophenyl)-1-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanylprop-2-en-1-imine?
The InChIKey is HSBWQTDHVFTHNT-RFHYUVJJSA-N. The full InChI is InChI=1S/C21H14Cl2FNS/c22-16-6-4-15(5-7-16)21(25-19-3-1-2-17(23)14-19)12-13-26-20-10-8-18(24)9-11-20/h1-14H/b13-12+,25-21+.
What are the key properties of (E)-N-(3-chlorophenyl)-1-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanylprop-2-en-1-imine?
(E)-N-(3-chlorophenyl)-1-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanylprop-2-en-1-imine has a molecular weight of 402.32 g/mol, XLogP of 7.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-chlorophenyl)-1-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanylprop-2-en-1-imine is sourced from PubChem (CID 87604088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).