N-[[2-(N-ethylanilino)-1-phenylethylidene]amino]-4-methylbenzenesulfonamide

C23H25N3O2S — CID 3796492

IUPACN-[[2-(N-ethylanilino)-1-phenylethylidene]amino]-4-methylbenzenesulfonamide
SMILESCCN(CC(=NNS(=O)(=O)c1ccc(C)cc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H25N3O2S/c1-3-26(21-12-8-5-9-13-21)18-23(20-10-6-4-7-11-20)24-25-29(27,28)22-16-14-19(2)15-17-22/h4-17,25H,3,18H2,1-2H3
InChIKeyLLQPCXBGKVQXPH-UHFFFAOYSA-N
MW407.54 g/mol
LogP4.20
Rot. Bonds8

About N-[[2-(N-ethylanilino)-1-phenylethylidene]amino]-4-methylbenzenesulfonamide

N-[[2-(N-ethylanilino)-1-phenylethylidene]amino]-4-methylbenzenesulfonamide (PubChem CID 3796492) has the molecular formula C23H25N3O2S and a molecular weight of 407.54 g/mol. Its IUPAC name is N-[[2-(N-ethylanilino)-1-phenylethylidene]amino]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[2-(N-ethylanilino)-1-phenylethylidene]amino]-4-methylbenzenesulfonamide
PubChem CID3796492
Molecular FormulaC23H25N3O2S
Molecular Weight407.54 g/mol
Exact Mass407.17
IUPAC NameN-[[2-(N-ethylanilino)-1-phenylethylidene]amino]-4-methylbenzenesulfonamide
SMILESCCN(CC(=NNS(=O)(=O)c1ccc(C)cc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H25N3O2S/c1-3-26(21-12-8-5-9-13-21)18-23(20-10-6-4-7-11-20)24-25-29(27,28)22-16-14-19(2)15-17-22/h4-17,25H,3,18H2,1-2H3
InChIKeyLLQPCXBGKVQXPH-UHFFFAOYSA-N
XLogP4.20
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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
N-[(E)-1,2-diphenylethylideneamino]-4-methylbenzenesulfonamide
CID 6370396
4-methyl-N-[(Z)-(3-methyl-1-phenylbutylidene)amino]benzenesulfonamide
CID 6016881
4-methyl-N-[(Z)-1-phenylethylideneamino]benzenesulfonamide
CID 6287802
N-[(Z)-[2-(4-methoxyphenoxy)-1-phenylethylidene]amino]-4-methylbenzenesulfonamide
CID 6374670
4-amino-N-[(Z)-1-phenylpropylideneamino]benzenesulfonamide
CID 5354741
4-methyl-N-[[1-[(4-methylphenyl)sulfonylhydrazinylidene]-1-phenylpropan-2-ylidene]amino]benzenesulfonamide
CID 6817467
N-[(E)-[(1E)-1-hydroxyimino-1-phenylpropan-2-ylidene]amino]-4-methylbenzenesulfonamide
CID 135666045
4-methyl-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzenesulfonamide
CID 6383602
methyl N-(4-methylphenyl)sulfonyl-4-oxo-4-phenylbutanehydrazonate
CID 118198075
N-[(Z)-[2-(benzotriazol-1-yl)-1-(4-methylphenyl)ethylidene]amino]-4-methylbenzenesulfonamide
CID 6536218
4-methyl-N-[1-(2-methylphenyl)ethylideneamino]benzenesulfonamide
CID 141470988

Frequently Asked Questions

What is the IUPAC name of N-[[2-(N-ethylanilino)-1-phenylethylidene]amino]-4-methylbenzenesulfonamide?
The IUPAC name of N-[[2-(N-ethylanilino)-1-phenylethylidene]amino]-4-methylbenzenesulfonamide (CID 3796492) is N-[[2-(N-ethylanilino)-1-phenylethylidene]amino]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[[2-(N-ethylanilino)-1-phenylethylidene]amino]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[[2-(N-ethylanilino)-1-phenylethylidene]amino]-4-methylbenzenesulfonamide is CCN(CC(=NNS(=O)(=O)c1ccc(C)cc1)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[[2-(N-ethylanilino)-1-phenylethylidene]amino]-4-methylbenzenesulfonamide?
The InChIKey is LLQPCXBGKVQXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2S/c1-3-26(21-12-8-5-9-13-21)18-23(20-10-6-4-7-11-20)24-25-29(27,28)22-16-14-19(2)15-17-22/h4-17,25H,3,18H2,1-2H3.
What are the key properties of N-[[2-(N-ethylanilino)-1-phenylethylidene]amino]-4-methylbenzenesulfonamide?
N-[[2-(N-ethylanilino)-1-phenylethylidene]amino]-4-methylbenzenesulfonamide has a molecular weight of 407.54 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(N-ethylanilino)-1-phenylethylidene]amino]-4-methylbenzenesulfonamide is sourced from PubChem (CID 3796492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).