Diphenyl sulfone

Details

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Internal ID acf3657a-cf36-4edf-bf26-c298b009bc25
Taxonomy Benzenoids > Benzene and substituted derivatives > Benzenesulfonyl compounds
IUPAC Name benzenesulfonylbenzene
SMILES (Canonical) C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2
SMILES (Isomeric) C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2
InChI InChI=1S/C12H10O2S/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
InChI Key KZTYYGOKRVBIMI-UHFFFAOYSA-N
Popularity 645 references in papers

Physical and Chemical Properties

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Molecular Formula C12H10O2S
Molecular Weight 218.27 g/mol
Exact Mass 218.04015073 g/mol
Topological Polar Surface Area (TPSA) 42.50 Ų
XlogP 2.40

Synonyms

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127-63-9
Phenyl sulfone
DIPHENYLSULFONE
Sulfobenzide
Benzene, 1,1'-sulfonylbis-
Diphenyl sulphone
Phenyl sulphone
benzenesulfonylbenzene
1,1'-sulfonyldibenzene
Sulfone, diphenyl
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Diphenyl sulfone

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 95.66% 95.56%
CHEMBL2581 P07339 Cathepsin D 87.68% 98.95%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 85.01% 94.62%
CHEMBL3401 O75469 Pregnane X receptor 83.48% 94.73%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 83.10% 96.00%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Myriactis humilis

Cross-Links

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PubChem 31386
LOTUS LTS0073375
wikiData Q5279737