4-[[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-N,N-dimethylaniline

C21H19ClN2S — CID 126082340

IUPAC4-[[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C21H19ClN2S/c1-24(2)19-9-7-18(8-10-19)23-15-16-3-11-20(12-4-16)25-21-13-5-17(22)6-14-21/h3-15H,1-2H3/b23-15+
InChIKeyZVIKUTXKQXKJBE-HZHRSRAPSA-N
MW366.92 g/mol
LogP6.31
Rot. Bonds5

About 4-[[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-N,N-dimethylaniline

4-[[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-N,N-dimethylaniline (PubChem CID 126082340) has the molecular formula C21H19ClN2S and a molecular weight of 366.92 g/mol. Its IUPAC name is 4-[[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-N,N-dimethylaniline
PubChem CID126082340
Molecular FormulaC21H19ClN2S
Molecular Weight366.92 g/mol
Exact Mass366.10
IUPAC Name4-[[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C21H19ClN2S/c1-24(2)19-9-7-18(8-10-19)23-15-16-3-11-20(12-4-16)25-21-13-5-17(22)6-14-21/h3-15H,1-2H3/b23-15+
InChIKeyZVIKUTXKQXKJBE-HZHRSRAPSA-N
XLogP6.31
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.92
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'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,N-dimethylaniline?
The IUPAC name of 4-[[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-N,N-dimethylaniline (CID 126082340) is 4-[[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-N,N-dimethylaniline.
What is the SMILES notation for 4-[[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-N,N-dimethylaniline?
The canonical SMILES for 4-[[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-N,N-dimethylaniline is CN(C)c1ccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)cc1.
What is the InChIKey of 4-[[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-N,N-dimethylaniline?
The InChIKey is ZVIKUTXKQXKJBE-HZHRSRAPSA-N. The full InChI is InChI=1S/C21H19ClN2S/c1-24(2)19-9-7-18(8-10-19)23-15-16-3-11-20(12-4-16)25-21-13-5-17(22)6-14-21/h3-15H,1-2H3/b23-15+.
What are the key properties of 4-[[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-N,N-dimethylaniline?
4-[[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-N,N-dimethylaniline has a molecular weight of 366.92 g/mol, XLogP of 6.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-N,N-dimethylaniline is sourced from PubChem (CID 126082340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).