Compound Summary
Compound Information
Sulindac sulfone
Compound Name: | Sulindac sulfone |
Compound CID: | 5472495 |
Synonyms: | Sulindac sulfone Exisulind 59973-80-7 UNII-K619IIG2R9 Aptosyn More... |
Iupac Name: | 2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]inden-1-yl]acetic acid |
InChI: | InChI=1S/C20H17FO4S/c1-12-17(9-13-3-6-15(7-4-13)26(2,24)25)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9- |
InChIKey: | MVGSNCBCUWPVDA-MFOYZWKCSA-N |
Canonical Smiles: | CC1=C(C2=C(C1=CC3=CC=C(C=C3)S(=O)(=O)C)C=CC(=C2)F)CC(=O)O |
Isomeric Smiles: | CC\1=C(C2=C(/C1=C\C3=CC=C(C=C3)S(=O)(=O)C)C=CC(=C2)F)CC(=O)O |
Molecular Weight: | 372.4 |
Molecular Formula: | C20H17FO4S |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Sulindac sulfone
Molecular Weight: | 372.4 |
Molecular Formula: | C20H17FO4S |
Hydrogen Bond Donor Count: | 1 |
Hydrogen Bond Acceptor Count: | 5 |
Rotatable Bond Count: | 4 |
Heavy Atom Count: | 26 |
Complexity: | 723 |
Synonyms
Sulindac sulfone
| Sulindac sulfone | Sulindac sulfone |
|---|---|
Sulindac sulfone |
Exisulind |
59973-80-7 |
UNII-K619IIG2R9 |
Aptosyn |
cis-5-Fluoro-2-methyl-1-(p-methylsulfonylbenzylidenyl)indene-3-acetic acid |
Sulindac related compound b |
5-Fluoro-2-methyl-1-((Z)-p-(methylsulfonyl)benzylidene)indene-3-acetic acid |
59864-04-9 |
K619IIG2R9 |
CHEBI:64212 |
1H-Indene-3-acetic acid, 5-fluoro-2-methyl-1-((4-(methylsulfonyl)phenyl)methylene)-, (1Z)- |
1H-Indene-3-acetic acid,5-fluoro-2-methyl-1-4-(methylsulfonyl)phenylmethylene-, (1Z)- |
NCGC00015928-04 |
Prevatec |
FGN-1 |
{(1Z)-5-fluoro-2-methyl-1-4-(methylsulfonyl)benzylidene-1H-inden-3-yl}acetic acid |
2-(3Z)-6-fluoro-2-methyl-3-(4-methylsulfonylphenyl)methylideneinden-1-ylacetic acid |
DSSTox_CID_20246 |
DSSTox_RID_79458 |
DSSTox_GSID_40246 |
(Z)-2-(5-fluoro-2-methyl-1-(4-(methylsulfonyl)benzylidene)-1H-inden-3-yl)acetic acid. |
2-(3z)-6-Fluoranyl-2-Methyl-3-(4-Methylsulfonylphenyl)methylideneinden-1-Ylethanoic Acid |
Exisulind INN |
FGN 1 |
CAS-59973-80-7 |
CCRIS 7242 |
Curator_000028 |
Lopac-S-1438 |
5-Fluoro-2-methy l-1-((4-(methylsulfonyl)phenyl)methylene)-1H-indene-3-acetic acid |
Lopac0_001115 |
CHEMBL488025 |
SCHEMBL1651133 |
SCHEMBL4776597 |
DTXSID6040246 |
HMS3263O12 |
Tox21_113524 |
Tox21_501115 |
NSC719619 |
ZINC12341529 |
(Z)-5-Fluoro-2-methyl-1p-(methylsulfonyl)benzylideneindene-3-acetic Acid |
AKOS037649206 |
Tox21_113524_1 |
CCG-205191 |
DB06246 |
LP01115 |
NSC-719619 |
SDCCGSBI-0051084.P002 |
(Z)-5-Fluoro-2-methyl-1-4-(methylsulfonyl)benzylidene-1H-indene-3-acetic acid |
1H-Indene-3-acetic acid, 5-fluoro-2-methy l-1-((4-(methylsulfonyl)phenyl)methylene)- |
NCGC00015928-01 |
NCGC00015928-02 |
NCGC00015928-03 |
NCGC00015928-05 |
NCGC00094385-01 |
NCGC00162346-01 |
NCGC00261800-01 |
BS-17193 |
SLO |
EU-0101115 |
S 1438 |
SR-01000076119 |
A1-00155 |
Q5420370 |
SR-01000076119-2 |
(Z)-5-Fluoro-2-methyl-1-(p-methylsulfonylbenzylidene)-3-indenylacetic acid |
1H-Indene-3-acetic acid, 5-fluoro-2-methyl-1-4-(methylsulfonyl)phenylmethylene- |
(Z)-5-Fluoro-2-methyl-1-4-(methylsulfonyl)benzylidene-1H-inden-3-ylacetic Acid (Sulindac Sulfone) |
(1Z)-5-fluoro-2-methyl-1-{4-(methylsulfonyl)phenylmethylidene}-1H-inden-3-ylacetic acid |
Experimental Data
Sulindac sulfone
| Species | Dosage | Unit | CG Lifespan(AVG/MED days) | TG Lifespan(AVG/MED days) | Lifespan Change(AVG/MED%) | CG Lifespan(MAX days) | TG Lifespan(MAX days) | Lifespan Change(MAX%) | Significant | Strain | Gender | PubMed | Active Label |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33 | umol/L | -5 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
Sulindac sulfone
Statistics Data
Sulindac sulfone
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -5 | 1 | 1 |
Statistics Data Visualization
Sulindac sulfone
