(4-cyclohexylsulfonylphenyl)-diphenylsulfanium;1,1-difluoro-2-(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)oxyethanesulfonate;2,2,3,3,6,6-hexafluorocycloheptane-1-sulfonate;1,1,1,2,2,3,3,4,4,7,7,8,8,9,9,10,10,10-octadecafluorodecane-5-sulfonate;1,1,2,2-tetrafluoro-4-(2-hydroxycyclohexyl)oxybutane-1-sulfonate;tetrakis(triphenylsulfanium)

C135H125F30O20S10+ — CID 157395541

IUPAC(4-cyclohexylsulfonylphenyl)-diphenylsulfanium;1,1-difluoro-2-(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)oxyethanesulfonate;2,2,3,3,6,6-hexafluorocycloheptane-1-sulfonate;1,1,1,2,2,3,3,4,4,7,7,8,8,9,9,10,10,10-octadecafluorodecane-5-sulfonate;1,1,2,2-tetrafluoro-4-(2-hydroxycyclohexyl)oxybutane-1-sulfonate;tetrakis(triphenylsulfanium)
SMILESCC12CCC(C(=O)OCC(F)(F)S(=O)(=O)[O-])(OC1=O)C2(C)C.O=S(=O)([O-])C(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)CCOC1CCCCC1O.O=S(=O)([O-])C1CC(F)(F)CCC(F)(F)C1(F)F.O=S(=O)(c1ccc([S+](c2ccccc2)c2ccccc2)cc1)C1CCCCC1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H25O2S2.4C18H15S.C12H16F2O7S.C10H4F18O3S.C10H16F4O5S.C7H8F6O3S/c25-28(26,23-14-8-3-9-15-23)24-18-16-22(17-19-24)27(20-10-4-1-5-11-20)21-12-6-2-7-13-21;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-9(2)10(3)4-5-11(9,21-7(10)15)8(16)20-6-12(13,14)22(17,18)19;11-3(12,5(15,16)7(19,20)9(23,24)25)1-2(32(29,30)31)4(13,14)6(17,18)8(21,22)10(26,27)28;11-9(12,10(13,14)20(16,17)18)5-6-19-8-4-2-1-3-7(8)15;8-5(9)1-2-6(10,11)7(12,13)4(3-5)17(14,15)16/h1-2,4-7,10-13,16-19,23H,3,8-9,14-15H2;4*1-15H;4-6H2,1-3H3,(H,17,18,19);2H,1H2,(H,29,30,31);7-8,15H,1-6H2,(H,16,17,18);4H,1-3H2,(H,14,15,16)/q5*+1;;;;/p-4
InChIKeyBMNIKMKDQISYOS-UHFFFAOYSA-J
MW2958.07 g/mol
LogP34.49
Rot. Bonds36

About (4-cyclohexylsulfonylphenyl)-diphenylsulfanium;1,1-difluoro-2-(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)oxyethanesulfonate;2,2,3,3,6,6-hexafluorocycloheptane-1-sulfonate;1,1,1,2,2,3,3,4,4,7,7,8,8,9,9,10,10,10-octadecafluorodecane-5-sulfonate;1,1,2,2-tetrafluoro-4-(2-hydroxycyclohexyl)oxybutane-1-sulfonate;tetrakis(triphenylsulfanium)

(4-cyclohexylsulfonylphenyl)-diphenylsulfanium;1,1-difluoro-2-(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)oxyethanesulfonate;2,2,3,3,6,6-hexafluorocycloheptane-1-sulfonate;1,1,1,2,2,3,3,4,4,7,7,8,8,9,9,10,10,10-octadecafluorodecane-5-sulfonate;1,1,2,2-tetrafluoro-4-(2-hydroxycyclohexyl)oxybutane-1-sulfonate;tetrakis(triphenylsulfanium) (PubChem CID 157395541) has the molecular formula C135H125F30O20S10+ and a molecular weight of 2958.07 g/mol. Its IUPAC name is (4-cyclohexylsulfonylphenyl)-diphenylsulfanium;1,1-difluoro-2-(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)oxyethanesulfonate;2,2,3,3,6,6-hexafluorocycloheptane-1-sulfonate;1,1,1,2,2,3,3,4,4,7,7,8,8,9,9,10,10,10-octadecafluorodecane-5-sulfonate;1,1,2,2-tetrafluoro-4-(2-hydroxycyclohexyl)oxybutane-1-sulfonate;tetrakis(triphenylsulfanium).

Molecular Properties

Compound Name(4-cyclohexylsulfonylphenyl)-diphenylsulfanium;1,1-difluoro-2-(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)oxyethanesulfonate;2,2,3,3,6,6-hexafluorocycloheptane-1-sulfonate;1,1,1,2,2,3,3,4,4,7,7,8,8,9,9,10,10,10-octadecafluorodecane-5-sulfonate;1,1,2,2-tetrafluoro-4-(2-hydroxycyclohexyl)oxybutane-1-sulfonate;tetrakis(triphenylsulfanium)
PubChem CID157395541
Molecular FormulaC135H125F30O20S10+
Molecular Weight2958.07 g/mol
Exact Mass2955.55
IUPAC Name(4-cyclohexylsulfonylphenyl)-diphenylsulfanium;1,1-difluoro-2-(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)oxyethanesulfonate;2,2,3,3,6,6-hexafluorocycloheptane-1-sulfonate;1,1,1,2,2,3,3,4,4,7,7,8,8,9,9,10,10,10-octadecafluorodecane-5-sulfonate;1,1,2,2-tetrafluoro-4-(2-hydroxycyclohexyl)oxybutane-1-sulfonate;tetrakis(triphenylsulfanium)
SMILESCC12CCC(C(=O)OCC(F)(F)S(=O)(=O)[O-])(OC1=O)C2(C)C.O=S(=O)([O-])C(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)CCOC1CCCCC1O.O=S(=O)([O-])C1CC(F)(F)CCC(F)(F)C1(F)F.O=S(=O)(c1ccc([S+](c2ccccc2)c2ccccc2)cc1)C1CCCCC1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H25O2S2.4C18H15S.C12H16F2O7S.C10H4F18O3S.C10H16F4O5S.C7H8F6O3S/c25-28(26,23-14-8-3-9-15-23)24-18-16-22(17-19-24)27(20-10-4-1-5-11-20)21-12-6-2-7-13-21;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-9(2)10(3)4-5-11(9,21-7(10)15)8(16)20-6-12(13,14)22(17,18)19;11-3(12,5(15,16)7(19,20)9(23,24)25)1-2(32(29,30)31)4(13,14)6(17,18)8(21,22)10(26,27)28;11-9(12,10(13,14)20(16,17)18)5-6-19-8-4-2-1-3-7(8)15;8-5(9)1-2-6(10,11)7(12,13)4(3-5)17(14,15)16/h1-2,4-7,10-13,16-19,23H,3,8-9,14-15H2;4*1-15H;4-6H2,1-3H3,(H,17,18,19);2H,1H2,(H,29,30,31);7-8,15H,1-6H2,(H,16,17,18);4H,1-3H2,(H,14,15,16)/q5*+1;;;;/p-4
InChIKeyBMNIKMKDQISYOS-UHFFFAOYSA-J
XLogP34.49
TPSA345.00 Ų
H-Bond Donors1
H-Bond Acceptors20
Rotatable Bonds36
Heavy Atoms195
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002958.07
LogP ≤ 534.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze (4-cyclohexylsulfonylphenyl)-diphenylsulfanium;1,1-difluoro-2-(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)oxyethanesulfonate;2,2,3,3,6,6-hexafluorocycloheptane-1-sulfonate;1,1,1,2,2,3,3,4,4,7,7,8,8,9,9,10,10,10-octadecafluorodecane-5-sulfonate;1,1,2,2-tetrafluoro-4-(2-hydroxycyclohexyl)oxybutane-1-sulfonate;tetrakis(triphenylsulfanium) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylsulfonylphenyl)-diphenylsulfanium;1,1-difluoro-2-(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)oxyethanesulfonate;2,2,3,3,6,6-hexafluorocycloheptane-1-sulfonate;1,1,1,2,2,3,3,4,4,7,7,8,8,9,9,10,10,10-octadecafluorodecane-5-sulfonate;1,1,2,2-tetrafluoro-4-(2-hydroxycyclohexyl)oxybutane-1-sulfonate;tetrakis(triphenylsulfanium)?
The IUPAC name of (4-cyclohexylsulfonylphenyl)-diphenylsulfanium;1,1-difluoro-2-(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)oxyethanesulfonate;2,2,3,3,6,6-hexafluorocycloheptane-1-sulfonate;1,1,1,2,2,3,3,4,4,7,7,8,8,9,9,10,10,10-octadecafluorodecane-5-sulfonate;1,1,2,2-tetrafluoro-4-(2-hydroxycyclohexyl)oxybutane-1-sulfonate;tetrakis(triphenylsulfanium) (CID 157395541) is (4-cyclohexylsulfonylphenyl)-diphenylsulfanium;1,1-difluoro-2-(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)oxyethanesulfonate;2,2,3,3,6,6-hexafluorocycloheptane-1-sulfonate;1,1,1,2,2,3,3,4,4,7,7,8,8,9,9,10,10,10-octadecafluorodecane-5-sulfonate;1,1,2,2-tetrafluoro-4-(2-hydroxycyclohexyl)oxybutane-1-sulfonate;tetrakis(triphenylsulfanium).
What is the SMILES notation for (4-cyclohexylsulfonylphenyl)-diphenylsulfanium;1,1-difluoro-2-(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)oxyethanesulfonate;2,2,3,3,6,6-hexafluorocycloheptane-1-sulfonate;1,1,1,2,2,3,3,4,4,7,7,8,8,9,9,10,10,10-octadecafluorodecane-5-sulfonate;1,1,2,2-tetrafluoro-4-(2-hydroxycyclohexyl)oxybutane-1-sulfonate;tetrakis(triphenylsulfanium)?
The canonical SMILES for (4-cyclohexylsulfonylphenyl)-diphenylsulfanium;1,1-difluoro-2-(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)oxyethanesulfonate;2,2,3,3,6,6-hexafluorocycloheptane-1-sulfonate;1,1,1,2,2,3,3,4,4,7,7,8,8,9,9,10,10,10-octadecafluorodecane-5-sulfonate;1,1,2,2-tetrafluoro-4-(2-hydroxycyclohexyl)oxybutane-1-sulfonate;tetrakis(triphenylsulfanium) is CC12CCC(C(=O)OCC(F)(F)S(=O)(=O)[O-])(OC1=O)C2(C)C.O=S(=O)([O-])C(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)CCOC1CCCCC1O.O=S(=O)([O-])C1CC(F)(F)CCC(F)(F)C1(F)F.O=S(=O)(c1ccc([S+](c2ccccc2)c2ccccc2)cc1)C1CCCCC1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (4-cyclohexylsulfonylphenyl)-diphenylsulfanium;1,1-difluoro-2-(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)oxyethanesulfonate;2,2,3,3,6,6-hexafluorocycloheptane-1-sulfonate;1,1,1,2,2,3,3,4,4,7,7,8,8,9,9,10,10,10-octadecafluorodecane-5-sulfonate;1,1,2,2-tetrafluoro-4-(2-hydroxycyclohexyl)oxybutane-1-sulfonate;tetrakis(triphenylsulfanium)?
The InChIKey is BMNIKMKDQISYOS-UHFFFAOYSA-J. The full InChI is InChI=1S/C24H25O2S2.4C18H15S.C12H16F2O7S.C10H4F18O3S.C10H16F4O5S.C7H8F6O3S/c25-28(26,23-14-8-3-9-15-23)24-18-16-22(17-19-24)27(20-10-4-1-5-11-20)21-12-6-2-7-13-21;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-9(2)10(3)4-5-11(9,21-7(10)15)8(16)20-6-12(13,14)22(17,18)19;11-3(12,5(15,16)7(19,20)9(23,24)25)1-2(32(29,30)31)4(13,14)6(17,18)8(21,22)10(26,27)28;11-9(12,10(13,14)20(16,17)18)5-6-19-8-4-2-1-3-7(8)15;8-5(9)1-2-6(10,11)7(12,13)4(3-5)17(14,15)16/h1-2,4-7,10-13,16-19,23H,3,8-9,14-15H2;4*1-15H;4-6H2,1-3H3,(H,17,18,19);2H,1H2,(H,29,30,31);7-8,15H,1-6H2,(H,16,17,18);4H,1-3H2,(H,14,15,16)/q5*+1;;;;/p-4.
What are the key properties of (4-cyclohexylsulfonylphenyl)-diphenylsulfanium;1,1-difluoro-2-(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)oxyethanesulfonate;2,2,3,3,6,6-hexafluorocycloheptane-1-sulfonate;1,1,1,2,2,3,3,4,4,7,7,8,8,9,9,10,10,10-octadecafluorodecane-5-sulfonate;1,1,2,2-tetrafluoro-4-(2-hydroxycyclohexyl)oxybutane-1-sulfonate;tetrakis(triphenylsulfanium)?
(4-cyclohexylsulfonylphenyl)-diphenylsulfanium;1,1-difluoro-2-(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)oxyethanesulfonate;2,2,3,3,6,6-hexafluorocycloheptane-1-sulfonate;1,1,1,2,2,3,3,4,4,7,7,8,8,9,9,10,10,10-octadecafluorodecane-5-sulfonate;1,1,2,2-tetrafluoro-4-(2-hydroxycyclohexyl)oxybutane-1-sulfonate;tetrakis(triphenylsulfanium) has a molecular weight of 2958.07 g/mol, XLogP of 34.49, 36 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylsulfonylphenyl)-diphenylsulfanium;1,1-difluoro-2-(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)oxyethanesulfonate;2,2,3,3,6,6-hexafluorocycloheptane-1-sulfonate;1,1,1,2,2,3,3,4,4,7,7,8,8,9,9,10,10,10-octadecafluorodecane-5-sulfonate;1,1,2,2-tetrafluoro-4-(2-hydroxycyclohexyl)oxybutane-1-sulfonate;tetrakis(triphenylsulfanium) is sourced from PubChem (CID 157395541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).