4-[2-[(4-phenylphenyl)methylideneamino]ethyl]benzenesulfonamide

C21H20N2O2S — CID 118716955

IUPAC4-[2-[(4-phenylphenyl)methylideneamino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CC/N=C/c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C21H20N2O2S/c22-26(24,25)21-12-8-17(9-13-21)14-15-23-16-18-6-10-20(11-7-18)19-4-2-1-3-5-19/h1-13,16H,14-15H2,(H2,22,24,25)/b23-16+
InChIKeyOSECIGUYSNPJEB-XQNSMLJCSA-N
MW364.47 g/mol
LogP3.66
Rot. Bonds6

About 4-[2-[(4-phenylphenyl)methylideneamino]ethyl]benzenesulfonamide

4-[2-[(4-phenylphenyl)methylideneamino]ethyl]benzenesulfonamide (PubChem CID 118716955) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is 4-[2-[(4-phenylphenyl)methylideneamino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(4-phenylphenyl)methylideneamino]ethyl]benzenesulfonamide
PubChem CID118716955
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC Name4-[2-[(4-phenylphenyl)methylideneamino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CC/N=C/c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C21H20N2O2S/c22-26(24,25)21-12-8-17(9-13-21)14-15-23-16-18-6-10-20(11-7-18)19-4-2-1-3-5-19/h1-13,16H,14-15H2,(H2,22,24,25)/b23-16+
InChIKeyOSECIGUYSNPJEB-XQNSMLJCSA-N
XLogP3.66
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[2-[(4-phenylphenyl)methylideneamino]ethyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-phenylphenyl)methylideneamino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[(4-phenylphenyl)methylideneamino]ethyl]benzenesulfonamide (CID 118716955) is 4-[2-[(4-phenylphenyl)methylideneamino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[(4-phenylphenyl)methylideneamino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[(4-phenylphenyl)methylideneamino]ethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CC/N=C/c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 4-[2-[(4-phenylphenyl)methylideneamino]ethyl]benzenesulfonamide?
The InChIKey is OSECIGUYSNPJEB-XQNSMLJCSA-N. The full InChI is InChI=1S/C21H20N2O2S/c22-26(24,25)21-12-8-17(9-13-21)14-15-23-16-18-6-10-20(11-7-18)19-4-2-1-3-5-19/h1-13,16H,14-15H2,(H2,22,24,25)/b23-16+.
What are the key properties of 4-[2-[(4-phenylphenyl)methylideneamino]ethyl]benzenesulfonamide?
4-[2-[(4-phenylphenyl)methylideneamino]ethyl]benzenesulfonamide has a molecular weight of 364.47 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-phenylphenyl)methylideneamino]ethyl]benzenesulfonamide is sourced from PubChem (CID 118716955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).