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

C21H15ClFNS — CID 25261838

IUPAC(E)-1-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanyl-N-phenylprop-2-en-1-imine
SMILESFc1ccc(S/C=C/C(=N\c2ccccc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H15ClFNS/c22-17-8-6-16(7-9-17)21(24-19-4-2-1-3-5-19)14-15-25-20-12-10-18(23)11-13-20/h1-15H/b15-14+,24-21+
InChIKeyGNDLUGBWNYBMCU-ANJOCGSNSA-N
MW367.88 g/mol
LogP6.91
Rot. Bonds5

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

(E)-1-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanyl-N-phenylprop-2-en-1-imine (PubChem CID 25261838) has the molecular formula C21H15ClFNS and a molecular weight of 367.88 g/mol. Its IUPAC name is (E)-1-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanyl-N-phenylprop-2-en-1-imine.

Molecular Properties

Compound Name(E)-1-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanyl-N-phenylprop-2-en-1-imine
PubChem CID25261838
Molecular FormulaC21H15ClFNS
Molecular Weight367.88 g/mol
Exact Mass367.06
IUPAC Name(E)-1-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanyl-N-phenylprop-2-en-1-imine
SMILESFc1ccc(S/C=C/C(=N\c2ccccc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H15ClFNS/c22-17-8-6-16(7-9-17)21(24-19-4-2-1-3-5-19)14-15-25-20-12-10-18(23)11-13-20/h1-15H/b15-14+,24-21+
InChIKeyGNDLUGBWNYBMCU-ANJOCGSNSA-N
XLogP6.91
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.88
LogP ≤ 56.91
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 (E)-1-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanyl-N-phenylprop-2-en-1-imine?
The IUPAC name of (E)-1-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanyl-N-phenylprop-2-en-1-imine (CID 25261838) is (E)-1-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanyl-N-phenylprop-2-en-1-imine.
What is the SMILES notation for (E)-1-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanyl-N-phenylprop-2-en-1-imine?
The canonical SMILES for (E)-1-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanyl-N-phenylprop-2-en-1-imine is Fc1ccc(S/C=C/C(=N\c2ccccc2)c2ccc(Cl)cc2)cc1.
What is the InChIKey of (E)-1-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanyl-N-phenylprop-2-en-1-imine?
The InChIKey is GNDLUGBWNYBMCU-ANJOCGSNSA-N. The full InChI is InChI=1S/C21H15ClFNS/c22-17-8-6-16(7-9-17)21(24-19-4-2-1-3-5-19)14-15-25-20-12-10-18(23)11-13-20/h1-15H/b15-14+,24-21+.
What are the key properties of (E)-1-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanyl-N-phenylprop-2-en-1-imine?
(E)-1-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanyl-N-phenylprop-2-en-1-imine has a molecular weight of 367.88 g/mol, XLogP of 6.91, 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-(4-fluorophenyl)sulfanyl-N-phenylprop-2-en-1-imine is sourced from PubChem (CID 25261838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).