4-methyl-N-[(E)-(4-methylphenyl)methylideneamino]benzenesulfonamide

C15H16N2O2S — CID 5340781

IUPAC4-methyl-N-[(E)-(4-methylphenyl)methylideneamino]benzenesulfonamide
SMILESCc1ccc(/C=N/NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C15H16N2O2S/c1-12-3-7-14(8-4-12)11-16-17-20(18,19)15-9-5-13(2)6-10-15/h3-11,17H,1-2H3/b16-11+
InChIKeyZCEQOHNBFVBUNC-LFIBNONCSA-N
MW288.37 g/mol
LogP2.62
Rot. Bonds4

About 4-methyl-N-[(E)-(4-methylphenyl)methylideneamino]benzenesulfonamide

4-methyl-N-[(E)-(4-methylphenyl)methylideneamino]benzenesulfonamide (PubChem CID 5340781) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 4-methyl-N-[(E)-(4-methylphenyl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(E)-(4-methylphenyl)methylideneamino]benzenesulfonamide
PubChem CID5340781
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name4-methyl-N-[(E)-(4-methylphenyl)methylideneamino]benzenesulfonamide
SMILESCc1ccc(/C=N/NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C15H16N2O2S/c1-12-3-7-14(8-4-12)11-16-17-20(18,19)15-9-5-13(2)6-10-15/h3-11,17H,1-2H3/b16-11+
InChIKeyZCEQOHNBFVBUNC-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'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(E)-(4-methylphenyl)methylideneamino]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(E)-(4-methylphenyl)methylideneamino]benzenesulfonamide (CID 5340781) is 4-methyl-N-[(E)-(4-methylphenyl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(E)-(4-methylphenyl)methylideneamino]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(E)-(4-methylphenyl)methylideneamino]benzenesulfonamide is Cc1ccc(/C=N/NS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 4-methyl-N-[(E)-(4-methylphenyl)methylideneamino]benzenesulfonamide?
The InChIKey is ZCEQOHNBFVBUNC-LFIBNONCSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-12-3-7-14(8-4-12)11-16-17-20(18,19)15-9-5-13(2)6-10-15/h3-11,17H,1-2H3/b16-11+.
What are the key properties of 4-methyl-N-[(E)-(4-methylphenyl)methylideneamino]benzenesulfonamide?
4-methyl-N-[(E)-(4-methylphenyl)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 4-methyl-N-[(E)-(4-methylphenyl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 5340781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).