[ethenyl(diphenyl)-λ4-sulfanyl] trifluoromethanesulfonate

C15H13F3O3S2 — CID 87266301

IUPAC[ethenyl(diphenyl)-λ4-sulfanyl] trifluoromethanesulfonate
SMILESC=CS(OS(=O)(=O)C(F)(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H13F3O3S2/c1-2-22(13-9-5-3-6-10-13,14-11-7-4-8-12-14)21-23(19,20)15(16,17)18/h2-12H,1H2
InChIKeyMDNHBGAAYRZJKN-UHFFFAOYSA-N
MW362.39 g/mol
LogP4.83
Rot. Bonds5

About [ethenyl(diphenyl)-λ4-sulfanyl] trifluoromethanesulfonate

[ethenyl(diphenyl)-λ4-sulfanyl] trifluoromethanesulfonate (PubChem CID 87266301) has the molecular formula C15H13F3O3S2 and a molecular weight of 362.39 g/mol. Its IUPAC name is [ethenyl(diphenyl)-λ4-sulfanyl] trifluoromethanesulfonate.

Molecular Properties

Compound Name[ethenyl(diphenyl)-λ4-sulfanyl] trifluoromethanesulfonate
PubChem CID87266301
Molecular FormulaC15H13F3O3S2
Molecular Weight362.39 g/mol
Exact Mass362.03
IUPAC Name[ethenyl(diphenyl)-λ4-sulfanyl] trifluoromethanesulfonate
SMILESC=CS(OS(=O)(=O)C(F)(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H13F3O3S2/c1-2-22(13-9-5-3-6-10-13,14-11-7-4-8-12-14)21-23(19,20)15(16,17)18/h2-12H,1H2
InChIKeyMDNHBGAAYRZJKN-UHFFFAOYSA-N
XLogP4.83
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Diphenyl sulfone
CID 31386
Fluoresone
CID 71814
1,1'-(1,2-Ethanediylbis(sulfonyl))bis(benzene)
CID 69036
(2-Propen-1-ylsulfonyl)benzene
CID 85330
Phenyl vinyl sulfone
CID 79664
(Ethylsulphonyl)benzene
CID 69032
Bis(phenylsulfonyl)methane
CID 76948
Benzene, 1,1'-sulfonylbis(4-fluoro-
CID 67842
trans-1,2-Bis(phenylsulfonyl)ethylene
CID 5367099
1-Fluoro-4-(phenylsulphonyl)benzene
CID 67556
Butyl phenyl sulfone
CID 238507
((1-Methylethyl)sulfonyl)benzene
CID 199476

Frequently Asked Questions

What is the IUPAC name of [ethenyl(diphenyl)-λ4-sulfanyl] trifluoromethanesulfonate?
The IUPAC name of [ethenyl(diphenyl)-λ4-sulfanyl] trifluoromethanesulfonate (CID 87266301) is [ethenyl(diphenyl)-λ4-sulfanyl] trifluoromethanesulfonate.
What is the SMILES notation for [ethenyl(diphenyl)-λ4-sulfanyl] trifluoromethanesulfonate?
The canonical SMILES for [ethenyl(diphenyl)-λ4-sulfanyl] trifluoromethanesulfonate is C=CS(OS(=O)(=O)C(F)(F)F)(c1ccccc1)c1ccccc1.
What is the InChIKey of [ethenyl(diphenyl)-λ4-sulfanyl] trifluoromethanesulfonate?
The InChIKey is MDNHBGAAYRZJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3O3S2/c1-2-22(13-9-5-3-6-10-13,14-11-7-4-8-12-14)21-23(19,20)15(16,17)18/h2-12H,1H2.
What are the key properties of [ethenyl(diphenyl)-λ4-sulfanyl] trifluoromethanesulfonate?
[ethenyl(diphenyl)-λ4-sulfanyl] trifluoromethanesulfonate has a molecular weight of 362.39 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [ethenyl(diphenyl)-λ4-sulfanyl] trifluoromethanesulfonate is sourced from PubChem (CID 87266301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).