(1E)-1-[(2-methoxyphenyl)hydrazinylidene]-1,3-bis-(4-methylphenyl)sulfonylpropan-2-one

C24H24N2O6S2 — CID 5453114

IUPAC(1E)-1-[(2-methoxyphenyl)hydrazinylidene]-1,3-bis-(4-methylphenyl)sulfonylpropan-2-one
SMILESCOc1ccccc1N/N=C(\C(=O)CS(=O)(=O)c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C24H24N2O6S2/c1-17-8-12-19(13-9-17)33(28,29)16-22(27)24(26-25-21-6-4-5-7-23(21)32-3)34(30,31)20-14-10-18(2)11-15-20/h4-15,25H,16H2,1-3H3/b26-24+
InChIKeyVAMHBCUUMXAPIV-SHHOIMCASA-N
MW500.60 g/mol
LogP3.55
Rot. Bonds8

About (1E)-1-[(2-methoxyphenyl)hydrazinylidene]-1,3-bis-(4-methylphenyl)sulfonylpropan-2-one

(1E)-1-[(2-methoxyphenyl)hydrazinylidene]-1,3-bis-(4-methylphenyl)sulfonylpropan-2-one (PubChem CID 5453114) has the molecular formula C24H24N2O6S2 and a molecular weight of 500.60 g/mol. Its IUPAC name is (1E)-1-[(2-methoxyphenyl)hydrazinylidene]-1,3-bis-(4-methylphenyl)sulfonylpropan-2-one.

Molecular Properties

Compound Name(1E)-1-[(2-methoxyphenyl)hydrazinylidene]-1,3-bis-(4-methylphenyl)sulfonylpropan-2-one
PubChem CID5453114
Molecular FormulaC24H24N2O6S2
Molecular Weight500.60 g/mol
Exact Mass500.11
IUPAC Name(1E)-1-[(2-methoxyphenyl)hydrazinylidene]-1,3-bis-(4-methylphenyl)sulfonylpropan-2-one
SMILESCOc1ccccc1N/N=C(\C(=O)CS(=O)(=O)c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C24H24N2O6S2/c1-17-8-12-19(13-9-17)33(28,29)16-22(27)24(26-25-21-6-4-5-7-23(21)32-3)34(30,31)20-14-10-18(2)11-15-20/h4-15,25H,16H2,1-3H3/b26-24+
InChIKeyVAMHBCUUMXAPIV-SHHOIMCASA-N
XLogP3.55
TPSA118.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.60
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

(1Z)-1-(benzenesulfonyl)-1-[(2-methoxyphenyl)hydrazinylidene]propan-2-one
CID 6521294
(1E)-1-(benzenesulfonyl)-3-chloro-1-[(4-methylphenyl)hydrazinylidene]propan-2-one
CID 15047431
ethyl (2Z)-2-(4-methylphenyl)sulfonyl-2-(phenylhydrazinylidene)acetate
CID 5406299
ethyl 2-[(2-methoxyphenyl)hydrazinylidene]propanoate
CID 85436397
N-(2-methoxyphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 1312611
N'-[2-(2-methoxyphenoxy)acetyl]-3-(4-methylphenyl)sulfonylpropanehydrazide
CID 9470869
2-(4-chlorophenyl)sulfonyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 25392753
2-methoxy-N-(pentan-3-ylideneamino)aniline
CID 154461263
1-(2-methoxyphenyl)-3-[2-[(4-methylphenyl)sulfonylamino]ethyl]urea
CID 32545082
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 8925115
2-(4-chlorophenyl)sulfonyl-1-(2-methoxyphenyl)ethanone
CID 64644445
1-[2-(benzenesulfonyl)prop-2-enylsulfonyl]-4-methylbenzene
CID 40578886

Frequently Asked Questions

What is the IUPAC name of (1E)-1-[(2-methoxyphenyl)hydrazinylidene]-1,3-bis-(4-methylphenyl)sulfonylpropan-2-one?
The IUPAC name of (1E)-1-[(2-methoxyphenyl)hydrazinylidene]-1,3-bis-(4-methylphenyl)sulfonylpropan-2-one (CID 5453114) is (1E)-1-[(2-methoxyphenyl)hydrazinylidene]-1,3-bis-(4-methylphenyl)sulfonylpropan-2-one.
What is the SMILES notation for (1E)-1-[(2-methoxyphenyl)hydrazinylidene]-1,3-bis-(4-methylphenyl)sulfonylpropan-2-one?
The canonical SMILES for (1E)-1-[(2-methoxyphenyl)hydrazinylidene]-1,3-bis-(4-methylphenyl)sulfonylpropan-2-one is COc1ccccc1N/N=C(\C(=O)CS(=O)(=O)c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of (1E)-1-[(2-methoxyphenyl)hydrazinylidene]-1,3-bis-(4-methylphenyl)sulfonylpropan-2-one?
The InChIKey is VAMHBCUUMXAPIV-SHHOIMCASA-N. The full InChI is InChI=1S/C24H24N2O6S2/c1-17-8-12-19(13-9-17)33(28,29)16-22(27)24(26-25-21-6-4-5-7-23(21)32-3)34(30,31)20-14-10-18(2)11-15-20/h4-15,25H,16H2,1-3H3/b26-24+.
What are the key properties of (1E)-1-[(2-methoxyphenyl)hydrazinylidene]-1,3-bis-(4-methylphenyl)sulfonylpropan-2-one?
(1E)-1-[(2-methoxyphenyl)hydrazinylidene]-1,3-bis-(4-methylphenyl)sulfonylpropan-2-one has a molecular weight of 500.60 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-[(2-methoxyphenyl)hydrazinylidene]-1,3-bis-(4-methylphenyl)sulfonylpropan-2-one is sourced from PubChem (CID 5453114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).