(E)-1-(4-chlorophenyl)-3-(2,4-dichlorophenyl)sulfanyl-N-phenylprop-2-en-1-imine

C21H14Cl3NS — CID 25261997

IUPAC(E)-1-(4-chlorophenyl)-3-(2,4-dichlorophenyl)sulfanyl-N-phenylprop-2-en-1-imine
SMILESClc1ccc(C(/C=C/Sc2ccc(Cl)cc2Cl)=N\c2ccccc2)cc1
InChIInChI=1S/C21H14Cl3NS/c22-16-8-6-15(7-9-16)20(25-18-4-2-1-3-5-18)12-13-26-21-11-10-17(23)14-19(21)24/h1-14H/b13-12+,25-20-
InChIKeyOJJZDJYCYOSPAH-HGKHCVDQSA-N
MW418.78 g/mol
LogP8.07
Rot. Bonds5

About (E)-1-(4-chlorophenyl)-3-(2,4-dichlorophenyl)sulfanyl-N-phenylprop-2-en-1-imine

(E)-1-(4-chlorophenyl)-3-(2,4-dichlorophenyl)sulfanyl-N-phenylprop-2-en-1-imine (PubChem CID 25261997) has the molecular formula C21H14Cl3NS and a molecular weight of 418.78 g/mol. Its IUPAC name is (E)-1-(4-chlorophenyl)-3-(2,4-dichlorophenyl)sulfanyl-N-phenylprop-2-en-1-imine.

Molecular Properties

Compound Name(E)-1-(4-chlorophenyl)-3-(2,4-dichlorophenyl)sulfanyl-N-phenylprop-2-en-1-imine
PubChem CID25261997
Molecular FormulaC21H14Cl3NS
Molecular Weight418.78 g/mol
Exact Mass416.99
IUPAC Name(E)-1-(4-chlorophenyl)-3-(2,4-dichlorophenyl)sulfanyl-N-phenylprop-2-en-1-imine
SMILESClc1ccc(C(/C=C/Sc2ccc(Cl)cc2Cl)=N\c2ccccc2)cc1
InChIInChI=1S/C21H14Cl3NS/c22-16-8-6-15(7-9-16)20(25-18-4-2-1-3-5-18)12-13-26-21-11-10-17(23)14-19(21)24/h1-14H/b13-12+,25-20-
InChIKeyOJJZDJYCYOSPAH-HGKHCVDQSA-N
XLogP8.07
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.78
LogP ≤ 58.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(4-chlorophenyl)-3-(2,4-dimethylphenyl)sulfanyl-N-phenylprop-2-en-1-imine
CID 25261995
(E)-1-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanyl-N-phenylprop-2-en-1-imine
CID 25261838
(E)-N-(3-chlorophenyl)-1-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanylprop-2-en-1-imine
CID 87604088
1-(4-methylphenyl)-3-(3-methylphenyl)sulfanyl-N-phenylprop-2-en-1-imine
CID 91197103
3-(4-bromophenyl)sulfanyl-N,1-diphenylprop-2-en-1-imine
CID 74438019
(E)-3-(3-fluorophenyl)sulfanyl-N,1-diphenylprop-2-en-1-imine
CID 25262144
1-(3-chlorophenyl)-3-(3-methoxyphenyl)sulfanyl-N-phenylprop-2-en-1-imine
CID 91164715
3-(4-bromophenyl)sulfanyl-1-(4-methylphenyl)-N-phenylprop-2-en-1-imine
CID 90986507
3-(4-bromophenyl)sulfanyl-1-(4-methoxyphenyl)-N-phenylprop-2-en-1-imine
CID 91104973
2-(4-chlorophenyl)-N-phenyl-2-phenyliminoethanimine oxide
CID 13221738
1-(4-chlorophenyl)-N,1-diphenylmethanimine
CID 2803926
1-(2,5-difluorophenyl)-3-(4-methylphenyl)sulfanyl-N-phenylprop-2-en-1-imine
CID 91015927

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-chlorophenyl)-3-(2,4-dichlorophenyl)sulfanyl-N-phenylprop-2-en-1-imine?
The IUPAC name of (E)-1-(4-chlorophenyl)-3-(2,4-dichlorophenyl)sulfanyl-N-phenylprop-2-en-1-imine (CID 25261997) is (E)-1-(4-chlorophenyl)-3-(2,4-dichlorophenyl)sulfanyl-N-phenylprop-2-en-1-imine.
What is the SMILES notation for (E)-1-(4-chlorophenyl)-3-(2,4-dichlorophenyl)sulfanyl-N-phenylprop-2-en-1-imine?
The canonical SMILES for (E)-1-(4-chlorophenyl)-3-(2,4-dichlorophenyl)sulfanyl-N-phenylprop-2-en-1-imine is Clc1ccc(C(/C=C/Sc2ccc(Cl)cc2Cl)=N\c2ccccc2)cc1.
What is the InChIKey of (E)-1-(4-chlorophenyl)-3-(2,4-dichlorophenyl)sulfanyl-N-phenylprop-2-en-1-imine?
The InChIKey is OJJZDJYCYOSPAH-HGKHCVDQSA-N. The full InChI is InChI=1S/C21H14Cl3NS/c22-16-8-6-15(7-9-16)20(25-18-4-2-1-3-5-18)12-13-26-21-11-10-17(23)14-19(21)24/h1-14H/b13-12+,25-20-.
What are the key properties of (E)-1-(4-chlorophenyl)-3-(2,4-dichlorophenyl)sulfanyl-N-phenylprop-2-en-1-imine?
(E)-1-(4-chlorophenyl)-3-(2,4-dichlorophenyl)sulfanyl-N-phenylprop-2-en-1-imine has a molecular weight of 418.78 g/mol, XLogP of 8.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-chlorophenyl)-3-(2,4-dichlorophenyl)sulfanyl-N-phenylprop-2-en-1-imine is sourced from PubChem (CID 25261997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).