(E)-3-(3-fluorophenyl)sulfanyl-N,1-diphenylprop-2-en-1-imine

C21H16FNS — CID 25262144

IUPAC(E)-3-(3-fluorophenyl)sulfanyl-N,1-diphenylprop-2-en-1-imine
SMILESFc1cccc(S/C=C/C(=N/c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C21H16FNS/c22-18-10-7-13-20(16-18)24-15-14-21(17-8-3-1-4-9-17)23-19-11-5-2-6-12-19/h1-16H/b15-14+,23-21-
InChIKeyKRZYBFUETJMCDO-GONAIXDFSA-N
MW333.43 g/mol
LogP6.25
Rot. Bonds5

About (E)-3-(3-fluorophenyl)sulfanyl-N,1-diphenylprop-2-en-1-imine

(E)-3-(3-fluorophenyl)sulfanyl-N,1-diphenylprop-2-en-1-imine (PubChem CID 25262144) has the molecular formula C21H16FNS and a molecular weight of 333.43 g/mol. Its IUPAC name is (E)-3-(3-fluorophenyl)sulfanyl-N,1-diphenylprop-2-en-1-imine.

Molecular Properties

Compound Name(E)-3-(3-fluorophenyl)sulfanyl-N,1-diphenylprop-2-en-1-imine
PubChem CID25262144
Molecular FormulaC21H16FNS
Molecular Weight333.43 g/mol
Exact Mass333.10
IUPAC Name(E)-3-(3-fluorophenyl)sulfanyl-N,1-diphenylprop-2-en-1-imine
SMILESFc1cccc(S/C=C/C(=N/c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C21H16FNS/c22-18-10-7-13-20(16-18)24-15-14-21(17-8-3-1-4-9-17)23-19-11-5-2-6-12-19/h1-16H/b15-14+,23-21-
InChIKeyKRZYBFUETJMCDO-GONAIXDFSA-N
XLogP6.25
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.43
LogP ≤ 56.25
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-(3-fluorophenyl)-N-(4-fluorophenyl)-3-(4-fluorophenyl)sulfanylprop-2-en-1-imine
CID 87603755
1-(4-methylphenyl)-3-(3-methylphenyl)sulfanyl-N-phenylprop-2-en-1-imine
CID 91197103
(E)-1-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanyl-N-phenylprop-2-en-1-imine
CID 25261838
3-(4-bromophenyl)sulfanyl-N,1-diphenylprop-2-en-1-imine
CID 74438019
(E)-N-(3-chlorophenyl)-1-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanylprop-2-en-1-imine
CID 87604088
1-(3-methoxyphenyl)-N-phenyl-3-[3-(trifluoromethyl)phenyl]sulfanylprop-2-en-1-imine
CID 91443377
(E)-1-(2-fluorophenyl)-N-(3-fluorophenyl)-3-(4-fluorophenyl)sulfanylprop-2-en-1-imine
CID 87603461
1-(2-fluorophenyl)-N-(3-fluorophenyl)-3-(4-fluorophenyl)sulfanylprop-2-en-1-imine
CID 90738523
1-(2,5-difluorophenyl)-3-(4-methylphenyl)sulfanyl-N-phenylprop-2-en-1-imine
CID 91015927
3-(4-bromophenyl)sulfanyl-1-(4-methylphenyl)-N-phenylprop-2-en-1-imine
CID 90986507
(E)-1-(4-chlorophenyl)-3-(2,4-dichlorophenyl)sulfanyl-N-phenylprop-2-en-1-imine
CID 25261997
3-(4-bromophenyl)sulfanyl-1-(4-methoxyphenyl)-N-phenylprop-2-en-1-imine
CID 91104973

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-fluorophenyl)sulfanyl-N,1-diphenylprop-2-en-1-imine?
The IUPAC name of (E)-3-(3-fluorophenyl)sulfanyl-N,1-diphenylprop-2-en-1-imine (CID 25262144) is (E)-3-(3-fluorophenyl)sulfanyl-N,1-diphenylprop-2-en-1-imine.
What is the SMILES notation for (E)-3-(3-fluorophenyl)sulfanyl-N,1-diphenylprop-2-en-1-imine?
The canonical SMILES for (E)-3-(3-fluorophenyl)sulfanyl-N,1-diphenylprop-2-en-1-imine is Fc1cccc(S/C=C/C(=N/c2ccccc2)c2ccccc2)c1.
What is the InChIKey of (E)-3-(3-fluorophenyl)sulfanyl-N,1-diphenylprop-2-en-1-imine?
The InChIKey is KRZYBFUETJMCDO-GONAIXDFSA-N. The full InChI is InChI=1S/C21H16FNS/c22-18-10-7-13-20(16-18)24-15-14-21(17-8-3-1-4-9-17)23-19-11-5-2-6-12-19/h1-16H/b15-14+,23-21-.
What are the key properties of (E)-3-(3-fluorophenyl)sulfanyl-N,1-diphenylprop-2-en-1-imine?
(E)-3-(3-fluorophenyl)sulfanyl-N,1-diphenylprop-2-en-1-imine has a molecular weight of 333.43 g/mol, XLogP of 6.25, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-fluorophenyl)sulfanyl-N,1-diphenylprop-2-en-1-imine is sourced from PubChem (CID 25262144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).