N-[(E)-(2,4-dimethylphenyl)methylideneamino]benzenesulfonamide

C15H16N2O2S — CID 6908569

IUPACN-[(E)-(2,4-dimethylphenyl)methylideneamino]benzenesulfonamide
SMILESCc1ccc(/C=N/NS(=O)(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C15H16N2O2S/c1-12-8-9-14(13(2)10-12)11-16-17-20(18,19)15-6-4-3-5-7-15/h3-11,17H,1-2H3/b16-11+
InChIKeySDUMLWVFOBPLIH-LFIBNONCSA-N
MW288.37 g/mol
LogP2.62
Rot. Bonds4

About N-[(E)-(2,4-dimethylphenyl)methylideneamino]benzenesulfonamide

N-[(E)-(2,4-dimethylphenyl)methylideneamino]benzenesulfonamide (PubChem CID 6908569) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-[(E)-(2,4-dimethylphenyl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-(2,4-dimethylphenyl)methylideneamino]benzenesulfonamide
PubChem CID6908569
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC NameN-[(E)-(2,4-dimethylphenyl)methylideneamino]benzenesulfonamide
SMILESCc1ccc(/C=N/NS(=O)(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C15H16N2O2S/c1-12-8-9-14(13(2)10-12)11-16-17-20(18,19)15-6-4-3-5-7-15/h3-11,17H,1-2H3/b16-11+
InChIKeySDUMLWVFOBPLIH-LFIBNONCSA-N
XLogP2.62
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(E)-(2,4-dimethylphenyl)methylideneamino]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 N-[(E)-(2,4-dimethylphenyl)methylideneamino]benzenesulfonamide?
The IUPAC name of N-[(E)-(2,4-dimethylphenyl)methylideneamino]benzenesulfonamide (CID 6908569) is N-[(E)-(2,4-dimethylphenyl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for N-[(E)-(2,4-dimethylphenyl)methylideneamino]benzenesulfonamide?
The canonical SMILES for N-[(E)-(2,4-dimethylphenyl)methylideneamino]benzenesulfonamide is Cc1ccc(/C=N/NS(=O)(=O)c2ccccc2)c(C)c1.
What is the InChIKey of N-[(E)-(2,4-dimethylphenyl)methylideneamino]benzenesulfonamide?
The InChIKey is SDUMLWVFOBPLIH-LFIBNONCSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-12-8-9-14(13(2)10-12)11-16-17-20(18,19)15-6-4-3-5-7-15/h3-11,17H,1-2H3/b16-11+.
What are the key properties of N-[(E)-(2,4-dimethylphenyl)methylideneamino]benzenesulfonamide?
N-[(E)-(2,4-dimethylphenyl)methylideneamino]benzenesulfonamide has a molecular weight of 288.37 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,4-dimethylphenyl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 6908569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).