4-methyl-N-[(Z)-(3-methyl-1-phenylbutylidene)amino]benzenesulfonamide

C18H22N2O2S — CID 6016881

IUPAC4-methyl-N-[(Z)-(3-methyl-1-phenylbutylidene)amino]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C(/CC(C)C)c2ccccc2)cc1
InChIInChI=1S/C18H22N2O2S/c1-14(2)13-18(16-7-5-4-6-8-16)19-20-23(21,22)17-11-9-15(3)10-12-17/h4-12,14,20H,13H2,1-3H3/b19-18-
InChIKeyILQMAXCYOJFRNI-HNENSFHCSA-N
MW330.45 g/mol
LogP3.72
Rot. Bonds6

About 4-methyl-N-[(Z)-(3-methyl-1-phenylbutylidene)amino]benzenesulfonamide

4-methyl-N-[(Z)-(3-methyl-1-phenylbutylidene)amino]benzenesulfonamide (PubChem CID 6016881) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 4-methyl-N-[(Z)-(3-methyl-1-phenylbutylidene)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(Z)-(3-methyl-1-phenylbutylidene)amino]benzenesulfonamide
PubChem CID6016881
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name4-methyl-N-[(Z)-(3-methyl-1-phenylbutylidene)amino]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C(/CC(C)C)c2ccccc2)cc1
InChIInChI=1S/C18H22N2O2S/c1-14(2)13-18(16-7-5-4-6-8-16)19-20-23(21,22)17-11-9-15(3)10-12-17/h4-12,14,20H,13H2,1-3H3/b19-18-
InChIKeyILQMAXCYOJFRNI-HNENSFHCSA-N
XLogP3.72
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.72
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
N-[(E)-1,2-diphenylethylideneamino]-4-methylbenzenesulfonamide
CID 6370396
4-methyl-N-[(Z)-1-phenylethylideneamino]benzenesulfonamide
CID 6287802
N-[[2-(N-ethylanilino)-1-phenylethylidene]amino]-4-methylbenzenesulfonamide
CID 3796492
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
4-amino-N-[(Z)-1-phenylpropylideneamino]benzenesulfonamide
CID 5354741
N-[(E)-[(1E)-1-hydroxyimino-1-phenylpropan-2-ylidene]amino]-4-methylbenzenesulfonamide
CID 135666045
N-(4-methylphenyl)-N'-[(Z)-(3-methyl-1-phenylbutylidene)amino]oxamide
CID 9179587
4-methyl-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzenesulfonamide
CID 6383602
methyl N-(4-methylphenyl)sulfonyl-4-oxo-4-phenylbutanehydrazonate
CID 118198075
4-methyl-N-[1-(2-methylphenyl)ethylideneamino]benzenesulfonamide
CID 141470988

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(Z)-(3-methyl-1-phenylbutylidene)amino]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(Z)-(3-methyl-1-phenylbutylidene)amino]benzenesulfonamide (CID 6016881) is 4-methyl-N-[(Z)-(3-methyl-1-phenylbutylidene)amino]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(Z)-(3-methyl-1-phenylbutylidene)amino]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(Z)-(3-methyl-1-phenylbutylidene)amino]benzenesulfonamide is Cc1ccc(S(=O)(=O)N/N=C(/CC(C)C)c2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-[(Z)-(3-methyl-1-phenylbutylidene)amino]benzenesulfonamide?
The InChIKey is ILQMAXCYOJFRNI-HNENSFHCSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-14(2)13-18(16-7-5-4-6-8-16)19-20-23(21,22)17-11-9-15(3)10-12-17/h4-12,14,20H,13H2,1-3H3/b19-18-.
What are the key properties of 4-methyl-N-[(Z)-(3-methyl-1-phenylbutylidene)amino]benzenesulfonamide?
4-methyl-N-[(Z)-(3-methyl-1-phenylbutylidene)amino]benzenesulfonamide has a molecular weight of 330.45 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(Z)-(3-methyl-1-phenylbutylidene)amino]benzenesulfonamide is sourced from PubChem (CID 6016881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).