3-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)prop-2-en-1-imine

C22H17ClFNS — CID 68859873

IUPAC3-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)prop-2-en-1-imine
SMILESCc1ccc(/N=C/C=C(Sc2ccc(F)cc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H17ClFNS/c1-16-2-10-20(11-3-16)25-15-14-22(17-4-6-18(23)7-5-17)26-21-12-8-19(24)9-13-21/h2-15H,1H3/b22-14?,25-15+
InChIKeyQICSOGGRSCQEJJ-AVYJOBCZSA-N
MW381.90 g/mol
LogP7.32
Rot. Bonds5

About 3-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)prop-2-en-1-imine

3-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)prop-2-en-1-imine (PubChem CID 68859873) has the molecular formula C22H17ClFNS and a molecular weight of 381.90 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)prop-2-en-1-imine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)prop-2-en-1-imine
PubChem CID68859873
Molecular FormulaC22H17ClFNS
Molecular Weight381.90 g/mol
Exact Mass381.08
IUPAC Name3-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)prop-2-en-1-imine
SMILESCc1ccc(/N=C/C=C(Sc2ccc(F)cc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H17ClFNS/c1-16-2-10-20(11-3-16)25-15-14-22(17-4-6-18(23)7-5-17)26-21-12-8-19(24)9-13-21/h2-15H,1H3/b22-14?,25-15+
InChIKeyQICSOGGRSCQEJJ-AVYJOBCZSA-N
XLogP7.32
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.90
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)prop-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

Related Compounds

4-(4-Chlorophenyl)-2-(4-fluorophenyl)-2,3-dihydro-1,5-benzothiazepine
CID 4292374
3-(2,4-dichlorophenyl)-3-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)prop-2-en-1-imine
CID 68858054
3-cyclohexyl-3-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)prop-2-en-1-imine
CID 68858608
3-(3,5-dimethylphenyl)-3-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)prop-2-en-1-imine
CID 68859845
3-(2-fluorophenyl)-3-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)prop-2-en-1-imine
CID 68859936
3-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-imine
CID 68860136
3-(4-fluorophenyl)sulfanyl-4,4-dimethyl-N-(4-methylphenyl)pent-2-en-1-imine
CID 68860224
3-(2,4-difluorophenyl)-N-(4-methylphenyl)-3-(4-methylphenyl)sulfanylprop-2-en-1-imine
CID 68860423
3-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-imine
CID 68861535
N-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-imine
CID 68861583
3-(2-fluorophenyl)-N-(4-methylphenyl)-3-(4-methylphenyl)sulfanylprop-2-en-1-imine
CID 68861708
3-(3,5-dichlorophenyl)-3-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)prop-2-en-1-imine
CID 68861969

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)prop-2-en-1-imine?
The IUPAC name of 3-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)prop-2-en-1-imine (CID 68859873) is 3-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)prop-2-en-1-imine.
What is the SMILES notation for 3-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)prop-2-en-1-imine?
The canonical SMILES for 3-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)prop-2-en-1-imine is Cc1ccc(/N=C/C=C(Sc2ccc(F)cc2)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)prop-2-en-1-imine?
The InChIKey is QICSOGGRSCQEJJ-AVYJOBCZSA-N. The full InChI is InChI=1S/C22H17ClFNS/c1-16-2-10-20(11-3-16)25-15-14-22(17-4-6-18(23)7-5-17)26-21-12-8-19(24)9-13-21/h2-15H,1H3/b22-14?,25-15+.
What are the key properties of 3-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)prop-2-en-1-imine?
3-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)prop-2-en-1-imine has a molecular weight of 381.90 g/mol, XLogP of 7.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)prop-2-en-1-imine is sourced from PubChem (CID 68859873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).