[4-(4-ethenylphenyl)sulfonyloxy-1,1-dioxothiolan-3-yl] 4-ethenylbenzenesulfonate

C20H20O8S3 — CID 18801594

IUPAC[4-(4-ethenylphenyl)sulfonyloxy-1,1-dioxothiolan-3-yl] 4-ethenylbenzenesulfonate
SMILESC=Cc1ccc(S(=O)(=O)OC2CS(=O)(=O)CC2OS(=O)(=O)c2ccc(C=C)cc2)cc1
InChIInChI=1S/C20H20O8S3/c1-3-15-5-9-17(10-6-15)30(23,24)27-19-13-29(21,22)14-20(19)28-31(25,26)18-11-7-16(4-2)8-12-18/h3-12,19-20H,1-2,13-14H2
InChIKeyZZOQINMDFROUAG-UHFFFAOYSA-N
MW484.57 g/mol
LogP2.25
Rot. Bonds8

About [4-(4-ethenylphenyl)sulfonyloxy-1,1-dioxothiolan-3-yl] 4-ethenylbenzenesulfonate

[4-(4-ethenylphenyl)sulfonyloxy-1,1-dioxothiolan-3-yl] 4-ethenylbenzenesulfonate (PubChem CID 18801594) has the molecular formula C20H20O8S3 and a molecular weight of 484.57 g/mol. Its IUPAC name is [4-(4-ethenylphenyl)sulfonyloxy-1,1-dioxothiolan-3-yl] 4-ethenylbenzenesulfonate.

Molecular Properties

Compound Name[4-(4-ethenylphenyl)sulfonyloxy-1,1-dioxothiolan-3-yl] 4-ethenylbenzenesulfonate
PubChem CID18801594
Molecular FormulaC20H20O8S3
Molecular Weight484.57 g/mol
Exact Mass484.03
IUPAC Name[4-(4-ethenylphenyl)sulfonyloxy-1,1-dioxothiolan-3-yl] 4-ethenylbenzenesulfonate
SMILESC=Cc1ccc(S(=O)(=O)OC2CS(=O)(=O)CC2OS(=O)(=O)c2ccc(C=C)cc2)cc1
InChIInChI=1S/C20H20O8S3/c1-3-15-5-9-17(10-6-15)30(23,24)27-19-13-29(21,22)14-20(19)28-31(25,26)18-11-7-16(4-2)8-12-18/h3-12,19-20H,1-2,13-14H2
InChIKeyZZOQINMDFROUAG-UHFFFAOYSA-N
XLogP2.25
TPSA120.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.57
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze [4-(4-ethenylphenyl)sulfonyloxy-1,1-dioxothiolan-3-yl] 4-ethenylbenzenesulfonate with MolForge

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Related Compounds

[(3S,4S)-4-(4-methylphenyl)sulfonyloxy-1,1-dioxothiolan-3-yl] 4-methylbenzenesulfonate
CID 98121390
[(3S,4S)-4-(benzenesulfonyloxy)-1,1-dioxothiolan-3-yl] benzenesulfonate
CID 98117157
(4-hydroxy-1,1-dioxothiolan-3-yl) benzenesulfonate
CID 3125838
[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 4-ethenylbenzenesulfonate
CID 59886152
[(3S,4R)-4-methyl-1,1-dioxothiolan-3-yl] benzenesulfonate
CID 51411368
[(2R,3R)-2-hydroxy-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl] 4-ethenylbenzenesulfonate
CID 101021783
4-ethenoxybutyl 4-ethenylbenzenesulfonate
CID 20697219
zinc bis(4-ethenylbenzenesulfonate)
CID 22931380
4-ethenyl-N-(4-ethenylphenyl)sulfonyl-N-methylbenzenesulfonamide
CID 130458466
sodium;hydride;phenyl 4-ethenylbenzenesulfonate
CID 174943153
aluminum;magnesium;pentakis(4-ethenylbenzenesulfonate)
CID 175122600
diazanium;4-ethenylbenzenesulfonate;chloride
CID 177250725

Frequently Asked Questions

What is the IUPAC name of [4-(4-ethenylphenyl)sulfonyloxy-1,1-dioxothiolan-3-yl] 4-ethenylbenzenesulfonate?
The IUPAC name of [4-(4-ethenylphenyl)sulfonyloxy-1,1-dioxothiolan-3-yl] 4-ethenylbenzenesulfonate (CID 18801594) is [4-(4-ethenylphenyl)sulfonyloxy-1,1-dioxothiolan-3-yl] 4-ethenylbenzenesulfonate.
What is the SMILES notation for [4-(4-ethenylphenyl)sulfonyloxy-1,1-dioxothiolan-3-yl] 4-ethenylbenzenesulfonate?
The canonical SMILES for [4-(4-ethenylphenyl)sulfonyloxy-1,1-dioxothiolan-3-yl] 4-ethenylbenzenesulfonate is C=Cc1ccc(S(=O)(=O)OC2CS(=O)(=O)CC2OS(=O)(=O)c2ccc(C=C)cc2)cc1.
What is the InChIKey of [4-(4-ethenylphenyl)sulfonyloxy-1,1-dioxothiolan-3-yl] 4-ethenylbenzenesulfonate?
The InChIKey is ZZOQINMDFROUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O8S3/c1-3-15-5-9-17(10-6-15)30(23,24)27-19-13-29(21,22)14-20(19)28-31(25,26)18-11-7-16(4-2)8-12-18/h3-12,19-20H,1-2,13-14H2.
What are the key properties of [4-(4-ethenylphenyl)sulfonyloxy-1,1-dioxothiolan-3-yl] 4-ethenylbenzenesulfonate?
[4-(4-ethenylphenyl)sulfonyloxy-1,1-dioxothiolan-3-yl] 4-ethenylbenzenesulfonate has a molecular weight of 484.57 g/mol, XLogP of 2.25, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-ethenylphenyl)sulfonyloxy-1,1-dioxothiolan-3-yl] 4-ethenylbenzenesulfonate is sourced from PubChem (CID 18801594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).