4-methyl-N-[4-(4-methylphenyl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]benzenesulfonamide
Basic information
- CAS
50931-32-3- Standard SMILES
Cc1ccc(S(=O)(=O)N=C2C=CC(=NS(=O)(=O)c3ccc(C)cc3)C=C2)cc1- InChIKey
FVMRYLRNZXRNSP-UHFFFAOYSA-N- Molecular formula
- C20H18N2O4S2
- Average molar mass
- 414.5 g/mol
- Monoisotopic mass
- 414.07079941
Names & identifiers
- Preferred name
- 4-methyl-N-[4-(4-methylphenyl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]benzenesulfonamide
- IUPAC
- 4-methyl-N-[4-(4-methylphenyl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]benzenesulfonamide
- English name
- 4-methyl-N-[4-(4-methylphenyl)sulfonylimino-1-cyclohexa-2,5-dienylidene]benzenesulfonamide
- Molecular formula
- C20H18N2O4S2
- Molecular weight
- 414.5
Names & synonyms
50931-32-34-methyl-N-[4-(4-methylphenyl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]benzenesulfonamide4-methyl-N-[4-(4-methylphenyl)sulfonylimino-1-cyclohexa-2,5-dienylidene]benzenesulfonamideN,N'-(Cyclohexa-2,5-diene-1,4-diylidene)bis(4-methylbenzenesulfonamide)(N,N'E,N,N'E)-N,N'-(cyclohexa-2,5-diene-1,4-diylidene)bis(4-methylbenzenesulfonamide)F0433-0070N,N'-(Cyclohexa-2,5-diene-1,4-diylidene)bis(4-methylbenzene-1-sulfonamide)HMS1482G21NSC343738ChemDiv3_003321CBDivE_005646DTXSID60319327
Show more names
Benzenesulfonamide, N,N'-2,5-cyclohexadiene-1,4-diylidenebis[4-methyl-N,N-((1E,4E)-cyclohexa-2,5-diene-1,4-diylidene)bis(4-methylbenzenesulfonamide)4-METHYL-N-(4-{[(4-METHYLPHENYL)SULFONYL]IMINO}-2,5-CYCLOHEXADIEN-1-YLIDENE)BENZENESULFONAMIDE
SMSSF-0052842STL363227AKOS001664344AKOS003616254NSC-343738IDI1_021231N,N'-ditosyl-1,4-benzoquinone diimineST50774380
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 795
Physicochemical properties
- Boiling point
- 576.2 · 576.2±60.0 °C(Predicted)
- Density
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- pka
- -9.12 · -9.12±0.20(Predicted)
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Related reactions
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Compound notes
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