[(4-fluorophenyl)-diphenyl-λ4-sulfanyl] methyl sulfate

C19H17FO4S2 — CID 156761556

IUPAC[(4-fluorophenyl)-diphenyl-λ4-sulfanyl] methyl sulfate
SMILESCOS(=O)(=O)OS(c1ccccc1)(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C19H17FO4S2/c1-23-26(21,22)24-25(17-8-4-2-5-9-17,18-10-6-3-7-11-18)19-14-12-16(20)13-15-19/h2-15H,1H3
InChIKeyLANAAWGCIGIKLX-UHFFFAOYSA-N
MW392.47 g/mol
LogP4.93
Rot. Bonds6

About [(4-fluorophenyl)-diphenyl-λ4-sulfanyl] methyl sulfate

[(4-fluorophenyl)-diphenyl-λ4-sulfanyl] methyl sulfate (PubChem CID 156761556) has the molecular formula C19H17FO4S2 and a molecular weight of 392.47 g/mol. Its IUPAC name is [(4-fluorophenyl)-diphenyl-λ4-sulfanyl] methyl sulfate.

Molecular Properties

Compound Name[(4-fluorophenyl)-diphenyl-λ4-sulfanyl] methyl sulfate
PubChem CID156761556
Molecular FormulaC19H17FO4S2
Molecular Weight392.47 g/mol
Exact Mass392.06
IUPAC Name[(4-fluorophenyl)-diphenyl-λ4-sulfanyl] methyl sulfate
SMILESCOS(=O)(=O)OS(c1ccccc1)(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C19H17FO4S2/c1-23-26(21,22)24-25(17-8-4-2-5-9-17,18-10-6-3-7-11-18)19-14-12-16(20)13-15-19/h2-15H,1H3
InChIKeyLANAAWGCIGIKLX-UHFFFAOYSA-N
XLogP4.93
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Sulfonium, triphenyl-, 1,1,1-trifluoromethanesulfonate (1:1)
CID 11729320
Triphenylsulfonium nonafluorobutanesulfonate
CID 16216936
(4-Fluorophenyl)diphenylsulfonium triflate
CID 16213837
Benzene, 1,1'-[cyclohexylidenebis(sulfonyl)]bis-
CID 1210996
Trifluoromethanesulfonic acid;triphenylsulfanium
CID 6455229
Triphenylsulfanium tridecafluorohexane-1-sulfonate
CID 87123851
Diphenyl(4-iodophenyl)sulphonium triflate
CID 2782335
Triphenylsulfonium perfluorobutanesulfonate
CID 2782440
(Triphenyl-lambda4-sulfanyl) trifluoromethanesulfonate
CID 12932027
Bis(trifluoromethylsulfonyl)azanide;triphenylsulfanium
CID 139203165
[1-(Benzenesulfonyl)-3-fluoropentyl]sulfonylbenzene
CID 15832190
[(E,2S)-1-(benzenesulfonyl)-2-ethenyl-1-fluoropent-3-enyl]sulfonylbenzene
CID 44519651

Frequently Asked Questions

What is the IUPAC name of [(4-fluorophenyl)-diphenyl-λ4-sulfanyl] methyl sulfate?
The IUPAC name of [(4-fluorophenyl)-diphenyl-λ4-sulfanyl] methyl sulfate (CID 156761556) is [(4-fluorophenyl)-diphenyl-λ4-sulfanyl] methyl sulfate.
What is the SMILES notation for [(4-fluorophenyl)-diphenyl-λ4-sulfanyl] methyl sulfate?
The canonical SMILES for [(4-fluorophenyl)-diphenyl-λ4-sulfanyl] methyl sulfate is COS(=O)(=O)OS(c1ccccc1)(c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of [(4-fluorophenyl)-diphenyl-λ4-sulfanyl] methyl sulfate?
The InChIKey is LANAAWGCIGIKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FO4S2/c1-23-26(21,22)24-25(17-8-4-2-5-9-17,18-10-6-3-7-11-18)19-14-12-16(20)13-15-19/h2-15H,1H3.
What are the key properties of [(4-fluorophenyl)-diphenyl-λ4-sulfanyl] methyl sulfate?
[(4-fluorophenyl)-diphenyl-λ4-sulfanyl] methyl sulfate has a molecular weight of 392.47 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-fluorophenyl)-diphenyl-λ4-sulfanyl] methyl sulfate is sourced from PubChem (CID 156761556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).