4-[[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-N-phenylaniline

C25H19ClN2S — CID 126101740

IUPAC4-[[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-N-phenylaniline
SMILESClc1ccc(Sc2ccc(/C=N/c3ccc(Nc4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C25H19ClN2S/c26-20-8-16-25(17-9-20)29-24-14-6-19(7-15-24)18-27-21-10-12-23(13-11-21)28-22-4-2-1-3-5-22/h1-18,28H/b27-18+
InChIKeyHKQTYQIFDABXEH-OVVQPSECSA-N
MW414.96 g/mol
LogP7.99
Rot. Bonds6

About 4-[[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-N-phenylaniline

4-[[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-N-phenylaniline (PubChem CID 126101740) has the molecular formula C25H19ClN2S and a molecular weight of 414.96 g/mol. Its IUPAC name is 4-[[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-N-phenylaniline.

Molecular Properties

Compound Name4-[[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-N-phenylaniline
PubChem CID126101740
Molecular FormulaC25H19ClN2S
Molecular Weight414.96 g/mol
Exact Mass414.10
IUPAC Name4-[[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-N-phenylaniline
SMILESClc1ccc(Sc2ccc(/C=N/c3ccc(Nc4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C25H19ClN2S/c26-20-8-16-25(17-9-20)29-24-14-6-19(7-15-24)18-27-21-10-12-23(13-11-21)28-22-4-2-1-3-5-22/h1-18,28H/b27-18+
InChIKeyHKQTYQIFDABXEH-OVVQPSECSA-N
XLogP7.99
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.96
LogP ≤ 57.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-[[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-N-phenylaniline?
The IUPAC name of 4-[[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-N-phenylaniline (CID 126101740) is 4-[[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-N-phenylaniline.
What is the SMILES notation for 4-[[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-N-phenylaniline?
The canonical SMILES for 4-[[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-N-phenylaniline is Clc1ccc(Sc2ccc(/C=N/c3ccc(Nc4ccccc4)cc3)cc2)cc1.
What is the InChIKey of 4-[[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-N-phenylaniline?
The InChIKey is HKQTYQIFDABXEH-OVVQPSECSA-N. The full InChI is InChI=1S/C25H19ClN2S/c26-20-8-16-25(17-9-20)29-24-14-6-19(7-15-24)18-27-21-10-12-23(13-11-21)28-22-4-2-1-3-5-22/h1-18,28H/b27-18+.
What are the key properties of 4-[[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-N-phenylaniline?
4-[[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-N-phenylaniline has a molecular weight of 414.96 g/mol, XLogP of 7.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-N-phenylaniline is sourced from PubChem (CID 126101740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).