N-[(E)-[(1Z)-1-(benzenesulfonyl)-1-[(4-methylphenyl)hydrazinylidene]propan-2-ylidene]amino]benzamide

C23H22N4O3S — CID 46187228

IUPACN-[(E)-[(1Z)-1-(benzenesulfonyl)-1-[(4-methylphenyl)hydrazinylidene]propan-2-ylidene]amino]benzamide
SMILESCC(=N\NC(=O)c1ccccc1)/C(=N/Nc1ccc(C)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H22N4O3S/c1-17-13-15-20(16-14-17)25-27-23(31(29,30)21-11-7-4-8-12-21)18(2)24-26-22(28)19-9-5-3-6-10-19/h3-16,25H,1-2H3,(H,26,28)/b24-18+,27-23-
InChIKeyUNRLLVBWZYURDI-PNCHFYTPSA-N
MW434.52 g/mol
LogP4.00
Rot. Bonds6

About N-[(E)-[(1Z)-1-(benzenesulfonyl)-1-[(4-methylphenyl)hydrazinylidene]propan-2-ylidene]amino]benzamide

N-[(E)-[(1Z)-1-(benzenesulfonyl)-1-[(4-methylphenyl)hydrazinylidene]propan-2-ylidene]amino]benzamide (PubChem CID 46187228) has the molecular formula C23H22N4O3S and a molecular weight of 434.52 g/mol. Its IUPAC name is N-[(E)-[(1Z)-1-(benzenesulfonyl)-1-[(4-methylphenyl)hydrazinylidene]propan-2-ylidene]amino]benzamide.

Molecular Properties

Compound NameN-[(E)-[(1Z)-1-(benzenesulfonyl)-1-[(4-methylphenyl)hydrazinylidene]propan-2-ylidene]amino]benzamide
PubChem CID46187228
Molecular FormulaC23H22N4O3S
Molecular Weight434.52 g/mol
Exact Mass434.14
IUPAC NameN-[(E)-[(1Z)-1-(benzenesulfonyl)-1-[(4-methylphenyl)hydrazinylidene]propan-2-ylidene]amino]benzamide
SMILESCC(=N\NC(=O)c1ccccc1)/C(=N/Nc1ccc(C)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H22N4O3S/c1-17-13-15-20(16-14-17)25-27-23(31(29,30)21-11-7-4-8-12-21)18(2)24-26-22(28)19-9-5-3-6-10-19/h3-16,25H,1-2H3,(H,26,28)/b24-18+,27-23-
InChIKeyUNRLLVBWZYURDI-PNCHFYTPSA-N
XLogP4.00
TPSA99.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1E)-1-(benzenesulfonyl)-3-chloro-1-[(4-methylphenyl)hydrazinylidene]propan-2-one
CID 15047431
(1Z)-1-(benzenesulfonyl)-1-(phenylhydrazinylidene)propan-2-one
CID 5410527
(2E)-2-[(4-aminophenyl)hydrazinylidene]-2-(benzenesulfonyl)-1-phenylethanone
CID 10523762
(2Z)-2-(benzenesulfonyl)-2-[(4-bromophenyl)hydrazinylidene]-1-phenylethanone
CID 6514956
ethyl (2Z)-2-(4-methylphenyl)sulfonyl-2-(phenylhydrazinylidene)acetate
CID 5406299
ethyl 2-(benzenesulfonyl)-2-(phenylhydrazinylidene)acetate
CID 794239
(2Z)-2-(benzenesulfonyl)-2-[(4-fluorophenyl)hydrazinylidene]acetohydrazide
CID 5407441
N-[(E)-2-chloro-1-(4-methylphenyl)sulfonylethenyl]benzamide
CID 2134372
(2Z)-2-(benzenesulfonyl)-2-[[4-[(4,6-dimethyl-1H-triazin-2-yl)sulfonyl]phenyl]hydrazinylidene]-1-phenylethanone
CID 175665260
N-[(E)-1-(benzenesulfonyl)-2-phenylethenyl]-4-methylbenzamide
CID 6304047
(2Z)-2-(4-chlorophenyl)sulfonyl-2-[(4-methylphenyl)hydrazinylidene]acetohydrazide
CID 6034461
(E)-N-(4-methylphenyl)benzenecarbohydrazonoyl chloride
CID 11207300

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(1Z)-1-(benzenesulfonyl)-1-[(4-methylphenyl)hydrazinylidene]propan-2-ylidene]amino]benzamide?
The IUPAC name of N-[(E)-[(1Z)-1-(benzenesulfonyl)-1-[(4-methylphenyl)hydrazinylidene]propan-2-ylidene]amino]benzamide (CID 46187228) is N-[(E)-[(1Z)-1-(benzenesulfonyl)-1-[(4-methylphenyl)hydrazinylidene]propan-2-ylidene]amino]benzamide.
What is the SMILES notation for N-[(E)-[(1Z)-1-(benzenesulfonyl)-1-[(4-methylphenyl)hydrazinylidene]propan-2-ylidene]amino]benzamide?
The canonical SMILES for N-[(E)-[(1Z)-1-(benzenesulfonyl)-1-[(4-methylphenyl)hydrazinylidene]propan-2-ylidene]amino]benzamide is CC(=N\NC(=O)c1ccccc1)/C(=N/Nc1ccc(C)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[(E)-[(1Z)-1-(benzenesulfonyl)-1-[(4-methylphenyl)hydrazinylidene]propan-2-ylidene]amino]benzamide?
The InChIKey is UNRLLVBWZYURDI-PNCHFYTPSA-N. The full InChI is InChI=1S/C23H22N4O3S/c1-17-13-15-20(16-14-17)25-27-23(31(29,30)21-11-7-4-8-12-21)18(2)24-26-22(28)19-9-5-3-6-10-19/h3-16,25H,1-2H3,(H,26,28)/b24-18+,27-23-.
What are the key properties of N-[(E)-[(1Z)-1-(benzenesulfonyl)-1-[(4-methylphenyl)hydrazinylidene]propan-2-ylidene]amino]benzamide?
N-[(E)-[(1Z)-1-(benzenesulfonyl)-1-[(4-methylphenyl)hydrazinylidene]propan-2-ylidene]amino]benzamide has a molecular weight of 434.52 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(1Z)-1-(benzenesulfonyl)-1-[(4-methylphenyl)hydrazinylidene]propan-2-ylidene]amino]benzamide is sourced from PubChem (CID 46187228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).