[benzenesulfonyl(diazo)methyl]sulfonylbenzene;difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethanesulfonate;[difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethyl]sulfonyl-methylsulfonylazanide;tris(4-fluorophenyl)sulfanium;tris(3-methoxyphenyl)sulfanium

C103H116F7N3O20S9 — CID 159501488

IUPAC[benzenesulfonyl(diazo)methyl]sulfonylbenzene;difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethanesulfonate;[difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethyl]sulfonyl-methylsulfonylazanide;tris(4-fluorophenyl)sulfanium;tris(3-methoxyphenyl)sulfanium
SMILESCOc1cccc([S+](c2cccc(OC)c2)c2cccc(OC)c2)c1.CS(=O)(=O)[N-]S(=O)(=O)C(F)(F)S(=O)(=O)Oc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.Fc1ccc([S+](c2ccc(F)cc2)c2ccc(F)cc2)cc1.O=S(=O)([O-])C(F)(F)S(=O)(=O)Oc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.[N-]=[N+]=C(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C26H38F2NO7S3.C25H36F2O6S2.C21H21O3S.C18H12F3S.C13H10N2O4S2/c1-37(30,31)29-38(32,33)26(27,28)39(34,35)36-25-23(20-13-7-3-8-14-20)17-22(19-11-5-2-6-12-19)18-24(25)21-15-9-4-10-16-21;26-25(27,34(28,29)30)35(31,32)33-24-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(24)20-14-8-3-9-15-20;1-22-16-7-4-10-19(13-16)25(20-11-5-8-17(14-20)23-2)21-12-6-9-18(15-21)24-3;19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18;14-15-13(20(16,17)11-7-3-1-4-8-11)21(18,19)12-9-5-2-6-10-12/h17-21H,2-16H2,1H3;16-20H,1-15H2,(H,28,29,30);4-15H,1-3H3;1-12H;1-10H/q-1;;2*+1;/p-1
InChIKeyLZLAZUACGKMVLU-UHFFFAOYSA-M
MW2137.65 g/mol
LogP24.91
Rot. Bonds27

About [benzenesulfonyl(diazo)methyl]sulfonylbenzene;difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethanesulfonate;[difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethyl]sulfonyl-methylsulfonylazanide;tris(4-fluorophenyl)sulfanium;tris(3-methoxyphenyl)sulfanium

[benzenesulfonyl(diazo)methyl]sulfonylbenzene;difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethanesulfonate;[difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethyl]sulfonyl-methylsulfonylazanide;tris(4-fluorophenyl)sulfanium;tris(3-methoxyphenyl)sulfanium (PubChem CID 159501488) has the molecular formula C103H116F7N3O20S9 and a molecular weight of 2137.65 g/mol. Its IUPAC name is [benzenesulfonyl(diazo)methyl]sulfonylbenzene;difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethanesulfonate;[difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethyl]sulfonyl-methylsulfonylazanide;tris(4-fluorophenyl)sulfanium;tris(3-methoxyphenyl)sulfanium.

Molecular Properties

Compound Name[benzenesulfonyl(diazo)methyl]sulfonylbenzene;difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethanesulfonate;[difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethyl]sulfonyl-methylsulfonylazanide;tris(4-fluorophenyl)sulfanium;tris(3-methoxyphenyl)sulfanium
PubChem CID159501488
Molecular FormulaC103H116F7N3O20S9
Molecular Weight2137.65 g/mol
Exact Mass2135.55
IUPAC Name[benzenesulfonyl(diazo)methyl]sulfonylbenzene;difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethanesulfonate;[difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethyl]sulfonyl-methylsulfonylazanide;tris(4-fluorophenyl)sulfanium;tris(3-methoxyphenyl)sulfanium
SMILESCOc1cccc([S+](c2cccc(OC)c2)c2cccc(OC)c2)c1.CS(=O)(=O)[N-]S(=O)(=O)C(F)(F)S(=O)(=O)Oc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.Fc1ccc([S+](c2ccc(F)cc2)c2ccc(F)cc2)cc1.O=S(=O)([O-])C(F)(F)S(=O)(=O)Oc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.[N-]=[N+]=C(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C26H38F2NO7S3.C25H36F2O6S2.C21H21O3S.C18H12F3S.C13H10N2O4S2/c1-37(30,31)29-38(32,33)26(27,28)39(34,35)36-25-23(20-13-7-3-8-14-20)17-22(19-11-5-2-6-12-19)18-24(25)21-15-9-4-10-16-21;26-25(27,34(28,29)30)35(31,32)33-24-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(24)20-14-8-3-9-15-20;1-22-16-7-4-10-19(13-16)25(20-11-5-8-17(14-20)23-2)21-12-6-9-18(15-21)24-3;19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18;14-15-13(20(16,17)11-7-3-1-4-8-11)21(18,19)12-9-5-2-6-10-12/h17-21H,2-16H2,1H3;16-20H,1-15H2,(H,28,29,30);4-15H,1-3H3;1-12H;1-10H/q-1;;2*+1;/p-1
InChIKeyLZLAZUACGKMVLU-UHFFFAOYSA-M
XLogP24.91
TPSA358.69 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds27
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002137.65
LogP ≤ 524.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1,3,5-Tricyclohexyl-2-(1,1,2,2,3,3-hexafluoro-3-hydroxysulfanylpropyl)sulfanyloxybenzene;tris(3-methoxyphenyl)sulfanium
CID 144560835
1,5-Dicyclohexyl-3-hexan-3-yl-2-methoxybenzene;(5-methoxy-2-methylphenyl)-bis(3-methoxyphenyl)sulfanium;1,1,2,2,3-pentafluoropropane-1,3-dithiol
CID 144690517
Bis(bis(3-methoxyphenyl)-(3-methylphenyl)sulfanium);bis([difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide);1,3,5-tricyclohexyl-2-methylbenzene;triphenylsulfanium
CID 157053928
Bis(bis(3-methoxyphenyl)-(3-methylphenyl)sulfanium);bis(3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate);[3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-tert-butyl-4-[2-(4-tert-butylphenyl)propan-2-yl]benzene;methane
CID 157059500
1,1,2,2,3,3-Hexafluoro-3-[2,4,6-tri(propan-2-yl)phenoxy]sulfonylpropane-1-sulfonic acid;2,3,5,6-tetrafluoro-4-(2,4,6-tricyclohexylphenoxy)benzenesulfonate;[2,4,6-tri(propan-2-yl)phenyl] 1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylsulfamoyl)propane-1-sulfonate;tris(tris(4-fluorophenyl)sulfanium)
CID 157138254
1,1,2,2,3,3-Hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonate;2,3,5,6-tetrafluoro-4-(2,4,6-tricyclohexylphenoxy)benzenesulfonate;(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylsulfamoyl)propane-1-sulfonate;bis(triphenylsulfanium);tris(4-fluorophenyl)sulfanium
CID 157154687
Difluoro-[2,4,6-tri(propan-2-yl)phenoxy]sulfonylmethanesulfonate;[difluoro-[2,4,6-tri(propan-2-yl)phenoxy]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1,1,2,2,3,3-hexafluoro-3-[2,4,6-tri(propan-2-yl)phenoxy]sulfonylpropane-1-sulfonate;[1,1,2,2,3,3-hexafluoro-3-[2,4,6-tri(propan-2-yl)phenoxy]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methyl-4,6-di(propan-2-yl)benzenesulfonate;2,3,5,6-tetrafluoro-4-(2,4,6-tricyclohexylphenoxy)benzenesulfonate;2,3,5,6-tetrafluoro-4-[2,4,6-tri(propan-2-yl)phenoxy]benzenesulfonate;(2,4,6-tricyclohexylphenyl) sulfate;octakis(tris(4-fluorophenyl)sulfanium)
CID 157205833
Bis(3-methoxyphenyl)-(3-methylphenyl)sulfanium;bis(1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonate);[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;bis(triphenylsulfanium)
CID 157302711
Difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethanesulfonate;[difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethyl]sulfonyl-methylsulfonylazanide;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonate;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;bis(2,3,5,6-tetrafluoro-4-(2,4,6-tricyclohexylphenoxy)benzenesulfonic acid);triphenylsulfanium;tris(tris(4-fluorophenyl)sulfanium);bis(tris(3-methoxyphenyl)sulfanium)
CID 157319687
Bis(difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethanesulfonic acid);[difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethyl]sulfonyl-methylsulfonylazanide;bis(triphenylsulfanium);tris(3-methoxyphenyl)sulfanium
CID 157360944
(2,4-Dicyclohexyl-6-cyclohexylphenyl) difluoro(trifluoromethylsulfonylsulfamoyl)methanesulfonate;bis(2,3,5,6-tetrafluoro-4-(2,4,6-tricyclohexylphenoxy)benzenesulfonic acid);triphenylsulfanium;tris(3-methoxyphenyl)sulfanium
CID 157360986
tetrakis(bis[(1E)-buta-1,3-dienyl]-phenylsulfanium);4-(4-butan-2-ylphenoxy)butane-1-sulfonate;3-(4-butan-2-ylphenoxy)propane-1-sulfonate;3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;[3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide
CID 157448758

Frequently Asked Questions

What is the IUPAC name of [benzenesulfonyl(diazo)methyl]sulfonylbenzene;difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethanesulfonate;[difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethyl]sulfonyl-methylsulfonylazanide;tris(4-fluorophenyl)sulfanium;tris(3-methoxyphenyl)sulfanium?
The IUPAC name of [benzenesulfonyl(diazo)methyl]sulfonylbenzene;difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethanesulfonate;[difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethyl]sulfonyl-methylsulfonylazanide;tris(4-fluorophenyl)sulfanium;tris(3-methoxyphenyl)sulfanium (CID 159501488) is [benzenesulfonyl(diazo)methyl]sulfonylbenzene;difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethanesulfonate;[difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethyl]sulfonyl-methylsulfonylazanide;tris(4-fluorophenyl)sulfanium;tris(3-methoxyphenyl)sulfanium.
What is the SMILES notation for [benzenesulfonyl(diazo)methyl]sulfonylbenzene;difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethanesulfonate;[difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethyl]sulfonyl-methylsulfonylazanide;tris(4-fluorophenyl)sulfanium;tris(3-methoxyphenyl)sulfanium?
The canonical SMILES for [benzenesulfonyl(diazo)methyl]sulfonylbenzene;difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethanesulfonate;[difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethyl]sulfonyl-methylsulfonylazanide;tris(4-fluorophenyl)sulfanium;tris(3-methoxyphenyl)sulfanium is COc1cccc([S+](c2cccc(OC)c2)c2cccc(OC)c2)c1.CS(=O)(=O)[N-]S(=O)(=O)C(F)(F)S(=O)(=O)Oc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.Fc1ccc([S+](c2ccc(F)cc2)c2ccc(F)cc2)cc1.O=S(=O)([O-])C(F)(F)S(=O)(=O)Oc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.[N-]=[N+]=C(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of [benzenesulfonyl(diazo)methyl]sulfonylbenzene;difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethanesulfonate;[difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethyl]sulfonyl-methylsulfonylazanide;tris(4-fluorophenyl)sulfanium;tris(3-methoxyphenyl)sulfanium?
The InChIKey is LZLAZUACGKMVLU-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H38F2NO7S3.C25H36F2O6S2.C21H21O3S.C18H12F3S.C13H10N2O4S2/c1-37(30,31)29-38(32,33)26(27,28)39(34,35)36-25-23(20-13-7-3-8-14-20)17-22(19-11-5-2-6-12-19)18-24(25)21-15-9-4-10-16-21;26-25(27,34(28,29)30)35(31,32)33-24-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(24)20-14-8-3-9-15-20;1-22-16-7-4-10-19(13-16)25(20-11-5-8-17(14-20)23-2)21-12-6-9-18(15-21)24-3;19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18;14-15-13(20(16,17)11-7-3-1-4-8-11)21(18,19)12-9-5-2-6-10-12/h17-21H,2-16H2,1H3;16-20H,1-15H2,(H,28,29,30);4-15H,1-3H3;1-12H;1-10H/q-1;;2*+1;/p-1.
What are the key properties of [benzenesulfonyl(diazo)methyl]sulfonylbenzene;difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethanesulfonate;[difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethyl]sulfonyl-methylsulfonylazanide;tris(4-fluorophenyl)sulfanium;tris(3-methoxyphenyl)sulfanium?
[benzenesulfonyl(diazo)methyl]sulfonylbenzene;difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethanesulfonate;[difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethyl]sulfonyl-methylsulfonylazanide;tris(4-fluorophenyl)sulfanium;tris(3-methoxyphenyl)sulfanium has a molecular weight of 2137.65 g/mol, XLogP of 24.91, 27 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for [benzenesulfonyl(diazo)methyl]sulfonylbenzene;difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethanesulfonate;[difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethyl]sulfonyl-methylsulfonylazanide;tris(4-fluorophenyl)sulfanium;tris(3-methoxyphenyl)sulfanium is sourced from PubChem (CID 159501488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).