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

C21H14F3NS — CID 87603755

IUPAC(E)-1-(3-fluorophenyl)-N-(4-fluorophenyl)-3-(4-fluorophenyl)sulfanylprop-2-en-1-imine
SMILESFc1ccc(/N=C(\C=C\Sc2ccc(F)cc2)c2cccc(F)c2)cc1
InChIInChI=1S/C21H14F3NS/c22-16-4-8-19(9-5-16)25-21(15-2-1-3-18(24)14-15)12-13-26-20-10-6-17(23)7-11-20/h1-14H/b13-12+,25-21+
InChIKeyBHHXWXMHXIQGCN-RFHYUVJJSA-N
MW369.41 g/mol
LogP6.53
Rot. Bonds5

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

(E)-1-(3-fluorophenyl)-N-(4-fluorophenyl)-3-(4-fluorophenyl)sulfanylprop-2-en-1-imine (PubChem CID 87603755) has the molecular formula C21H14F3NS and a molecular weight of 369.41 g/mol. Its IUPAC name is (E)-1-(3-fluorophenyl)-N-(4-fluorophenyl)-3-(4-fluorophenyl)sulfanylprop-2-en-1-imine.

Molecular Properties

Compound Name(E)-1-(3-fluorophenyl)-N-(4-fluorophenyl)-3-(4-fluorophenyl)sulfanylprop-2-en-1-imine
PubChem CID87603755
Molecular FormulaC21H14F3NS
Molecular Weight369.41 g/mol
Exact Mass369.08
IUPAC Name(E)-1-(3-fluorophenyl)-N-(4-fluorophenyl)-3-(4-fluorophenyl)sulfanylprop-2-en-1-imine
SMILESFc1ccc(/N=C(\C=C\Sc2ccc(F)cc2)c2cccc(F)c2)cc1
InChIInChI=1S/C21H14F3NS/c22-16-4-8-19(9-5-16)25-21(15-2-1-3-18(24)14-15)12-13-26-20-10-6-17(23)7-11-20/h1-14H/b13-12+,25-21+
InChIKeyBHHXWXMHXIQGCN-RFHYUVJJSA-N
XLogP6.53
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.41
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-1-(3-fluorophenyl)-N-(4-fluorophenyl)-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)-1-(3-fluorophenyl)-N-(4-fluorophenyl)-3-(4-fluorophenyl)sulfanylprop-2-en-1-imine?
The IUPAC name of (E)-1-(3-fluorophenyl)-N-(4-fluorophenyl)-3-(4-fluorophenyl)sulfanylprop-2-en-1-imine (CID 87603755) is (E)-1-(3-fluorophenyl)-N-(4-fluorophenyl)-3-(4-fluorophenyl)sulfanylprop-2-en-1-imine.
What is the SMILES notation for (E)-1-(3-fluorophenyl)-N-(4-fluorophenyl)-3-(4-fluorophenyl)sulfanylprop-2-en-1-imine?
The canonical SMILES for (E)-1-(3-fluorophenyl)-N-(4-fluorophenyl)-3-(4-fluorophenyl)sulfanylprop-2-en-1-imine is Fc1ccc(/N=C(\C=C\Sc2ccc(F)cc2)c2cccc(F)c2)cc1.
What is the InChIKey of (E)-1-(3-fluorophenyl)-N-(4-fluorophenyl)-3-(4-fluorophenyl)sulfanylprop-2-en-1-imine?
The InChIKey is BHHXWXMHXIQGCN-RFHYUVJJSA-N. The full InChI is InChI=1S/C21H14F3NS/c22-16-4-8-19(9-5-16)25-21(15-2-1-3-18(24)14-15)12-13-26-20-10-6-17(23)7-11-20/h1-14H/b13-12+,25-21+.
What are the key properties of (E)-1-(3-fluorophenyl)-N-(4-fluorophenyl)-3-(4-fluorophenyl)sulfanylprop-2-en-1-imine?
(E)-1-(3-fluorophenyl)-N-(4-fluorophenyl)-3-(4-fluorophenyl)sulfanylprop-2-en-1-imine has a molecular weight of 369.41 g/mol, XLogP of 6.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3-fluorophenyl)-N-(4-fluorophenyl)-3-(4-fluorophenyl)sulfanylprop-2-en-1-imine is sourced from PubChem (CID 87603755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).