4-methyl-N-[(E)-1-phenylpropylideneamino]benzenesulfonamide

C16H18N2O2S — CID 6374388

IUPAC4-methyl-N-[(E)-1-phenylpropylideneamino]benzenesulfonamide
SMILESCC/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C16H18N2O2S/c1-3-16(14-7-5-4-6-8-14)17-18-21(19,20)15-11-9-13(2)10-12-15/h4-12,18H,3H2,1-2H3/b17-16+
InChIKeyTWTWWQDWKPRWFI-WUKNDPDISA-N
MW302.40 g/mol
LogP3.09
Rot. Bonds5

About 4-methyl-N-[(E)-1-phenylpropylideneamino]benzenesulfonamide

4-methyl-N-[(E)-1-phenylpropylideneamino]benzenesulfonamide (PubChem CID 6374388) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 4-methyl-N-[(E)-1-phenylpropylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(E)-1-phenylpropylideneamino]benzenesulfonamide
PubChem CID6374388
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name4-methyl-N-[(E)-1-phenylpropylideneamino]benzenesulfonamide
SMILESCC/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C16H18N2O2S/c1-3-16(14-7-5-4-6-8-14)17-18-21(19,20)15-11-9-13(2)10-12-15/h4-12,18H,3H2,1-2H3/b17-16+
InChIKeyTWTWWQDWKPRWFI-WUKNDPDISA-N
XLogP3.09
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.09
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

N-[(E)-1,2-diphenylethylideneamino]-4-methylbenzenesulfonamide
CID 6370396
4-amino-N-[(Z)-1-phenylpropylideneamino]benzenesulfonamide
CID 5354741
4-methyl-N-[(Z)-(3-methyl-1-phenylbutylidene)amino]benzenesulfonamide
CID 6016881
N-[[2-(N-ethylanilino)-1-phenylethylidene]amino]-4-methylbenzenesulfonamide
CID 3796492
N-[1-(4-chlorophenyl)propylideneamino]benzenesulfonamide
CID 840428
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)-[(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
4-methyl-N-[1-(2-methylphenyl)ethylideneamino]benzenesulfonamide
CID 141470988

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(E)-1-phenylpropylideneamino]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(E)-1-phenylpropylideneamino]benzenesulfonamide (CID 6374388) is 4-methyl-N-[(E)-1-phenylpropylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(E)-1-phenylpropylideneamino]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(E)-1-phenylpropylideneamino]benzenesulfonamide is CC/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1ccccc1.
What is the InChIKey of 4-methyl-N-[(E)-1-phenylpropylideneamino]benzenesulfonamide?
The InChIKey is TWTWWQDWKPRWFI-WUKNDPDISA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-3-16(14-7-5-4-6-8-14)17-18-21(19,20)15-11-9-13(2)10-12-15/h4-12,18H,3H2,1-2H3/b17-16+.
What are the key properties of 4-methyl-N-[(E)-1-phenylpropylideneamino]benzenesulfonamide?
4-methyl-N-[(E)-1-phenylpropylideneamino]benzenesulfonamide has a molecular weight of 302.40 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(E)-1-phenylpropylideneamino]benzenesulfonamide is sourced from PubChem (CID 6374388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).