N-[(E)-1,2-diphenylethylideneamino]-4-methylbenzenesulfonamide

C21H20N2O2S — CID 6370396

IUPACN-[(E)-1,2-diphenylethylideneamino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C(\Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H20N2O2S/c1-17-12-14-20(15-13-17)26(24,25)23-22-21(19-10-6-3-7-11-19)16-18-8-4-2-5-9-18/h2-15,23H,16H2,1H3/b22-21+
InChIKeyINMYHVHTZKDKDK-QURGRASLSA-N
MW364.47 g/mol
LogP3.92
Rot. Bonds6

About N-[(E)-1,2-diphenylethylideneamino]-4-methylbenzenesulfonamide

N-[(E)-1,2-diphenylethylideneamino]-4-methylbenzenesulfonamide (PubChem CID 6370396) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is N-[(E)-1,2-diphenylethylideneamino]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-1,2-diphenylethylideneamino]-4-methylbenzenesulfonamide
PubChem CID6370396
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC NameN-[(E)-1,2-diphenylethylideneamino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C(\Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H20N2O2S/c1-17-12-14-20(15-13-17)26(24,25)23-22-21(19-10-6-3-7-11-19)16-18-8-4-2-5-9-18/h2-15,23H,16H2,1H3/b22-21+
InChIKeyINMYHVHTZKDKDK-QURGRASLSA-N
XLogP3.92
TPSA58.53 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 ≤ 53.92
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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Related Compounds

4-methyl-N-[(E)-1-phenylpropylideneamino]benzenesulfonamide
CID 6374388
4-methyl-N-[(Z)-(3-methyl-1-phenylbutylidene)amino]benzenesulfonamide
CID 6016881
N-[[2-(N-ethylanilino)-1-phenylethylidene]amino]-4-methylbenzenesulfonamide
CID 3796492
4-methyl-N-[(Z)-1-phenylethylideneamino]benzenesulfonamide
CID 6287802
N-[(Z)-[2-(4-methoxyphenoxy)-1-phenylethylidene]amino]-4-methylbenzenesulfonamide
CID 6374670
4-methyl-N-[[1-[(4-methylphenyl)sulfonylhydrazinylidene]-1-phenylpropan-2-ylidene]amino]benzenesulfonamide
CID 6817467
N-[(E)-[(2Z)-1,2-diphenyl-2-phenylmethoxyiminoethylidene]amino]-4-methylbenzenesulfonamide
CID 6415851
4-methyl-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzenesulfonamide
CID 6383602
N-[(E)-1,2-diphenylethylideneamino]-4-methylaniline
CID 135051683
4-amino-N-[(Z)-1-phenylpropylideneamino]benzenesulfonamide
CID 5354741
N-[(E)-[(1E)-1-hydroxyimino-1-phenylpropan-2-ylidene]amino]-4-methylbenzenesulfonamide
CID 135666045
methyl N-(4-methylphenyl)sulfonyl-4-oxo-4-phenylbutanehydrazonate
CID 118198075

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1,2-diphenylethylideneamino]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(E)-1,2-diphenylethylideneamino]-4-methylbenzenesulfonamide (CID 6370396) is N-[(E)-1,2-diphenylethylideneamino]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(E)-1,2-diphenylethylideneamino]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(E)-1,2-diphenylethylideneamino]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N/N=C(\Cc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[(E)-1,2-diphenylethylideneamino]-4-methylbenzenesulfonamide?
The InChIKey is INMYHVHTZKDKDK-QURGRASLSA-N. The full InChI is InChI=1S/C21H20N2O2S/c1-17-12-14-20(15-13-17)26(24,25)23-22-21(19-10-6-3-7-11-19)16-18-8-4-2-5-9-18/h2-15,23H,16H2,1H3/b22-21+.
What are the key properties of N-[(E)-1,2-diphenylethylideneamino]-4-methylbenzenesulfonamide?
N-[(E)-1,2-diphenylethylideneamino]-4-methylbenzenesulfonamide has a molecular weight of 364.47 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1,2-diphenylethylideneamino]-4-methylbenzenesulfonamide is sourced from PubChem (CID 6370396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).