bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;[4-(cyclohexylmethoxy)phenyl]-dinaphthalen-2-ylsulfanium;1-[4-(cyclohexylmethyl)phenyl]thiolan-1-ium;(4-cyclohexyloxynaphthalen-1-yl)-diphenylsulfanium;[1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate

C99H96F24N2O16S8 — CID 158749217

IUPACbis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;[4-(cyclohexylmethoxy)phenyl]-dinaphthalen-2-ylsulfanium;1-[4-(cyclohexylmethyl)phenyl]thiolan-1-ium;(4-cyclohexyloxynaphthalen-1-yl)-diphenylsulfanium;[1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
SMILESO=C1C2CC3CC1CC(OC(=O)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)(C3)C2.O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.c1cc([S+]2CCCC2)ccc1CC1CCCCC1.c1ccc([S+](c2ccccc2)c2ccc(OC3CCCCC3)c3ccccc23)cc1.c1ccc2cc([S+](c3ccc(OCC4CCCCC4)cc3)c3ccc4ccccc4c3)ccc2c1
InChIInChI=1S/C33H31OS.C28H27OS.C17H25S.C13H13F5NO7S2.C4F10NO4S2.C4HF9O3S/c1-2-8-25(9-3-1)24-34-30-16-20-31(21-17-30)35(32-18-14-26-10-4-6-12-28(26)22-32)33-19-15-27-11-5-7-13-29(27)23-33;1-4-12-22(13-5-1)29-27-20-21-28(26-19-11-10-18-25(26)27)30(23-14-6-2-7-15-23)24-16-8-3-9-17-24;1-2-6-15(7-3-1)14-16-8-10-17(11-9-16)18-12-4-5-13-18;14-12(15,27(22,23)19-28(24,25)13(16,17)18)10(21)26-11-3-6-1-7(4-11)9(20)8(2-6)5-11;5-1(6,7)3(11,12)20(16,17)15-21(18,19)4(13,14)2(8,9)10;5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h4-7,10-23,25H,1-3,8-9,24H2;2-3,6-11,14-22H,1,4-5,12-13H2;8-11,15H,1-7,12-14H2;6-8H,1-5H2;;(H,14,15,16)/q3*+1;2*-1;/p-1
InChIKeyINGJXQGSZWWUJF-UHFFFAOYSA-M
MW2282.34 g/mol
LogP27.39
Rot. Bonds26

About bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;[4-(cyclohexylmethoxy)phenyl]-dinaphthalen-2-ylsulfanium;1-[4-(cyclohexylmethyl)phenyl]thiolan-1-ium;(4-cyclohexyloxynaphthalen-1-yl)-diphenylsulfanium;[1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate

bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;[4-(cyclohexylmethoxy)phenyl]-dinaphthalen-2-ylsulfanium;1-[4-(cyclohexylmethyl)phenyl]thiolan-1-ium;(4-cyclohexyloxynaphthalen-1-yl)-diphenylsulfanium;[1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate (PubChem CID 158749217) has the molecular formula C99H96F24N2O16S8 and a molecular weight of 2282.34 g/mol. Its IUPAC name is bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;[4-(cyclohexylmethoxy)phenyl]-dinaphthalen-2-ylsulfanium;1-[4-(cyclohexylmethyl)phenyl]thiolan-1-ium;(4-cyclohexyloxynaphthalen-1-yl)-diphenylsulfanium;[1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate.

Molecular Properties

Compound Namebis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;[4-(cyclohexylmethoxy)phenyl]-dinaphthalen-2-ylsulfanium;1-[4-(cyclohexylmethyl)phenyl]thiolan-1-ium;(4-cyclohexyloxynaphthalen-1-yl)-diphenylsulfanium;[1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
PubChem CID158749217
Molecular FormulaC99H96F24N2O16S8
Molecular Weight2282.34 g/mol
Exact Mass2280.41
IUPAC Namebis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;[4-(cyclohexylmethoxy)phenyl]-dinaphthalen-2-ylsulfanium;1-[4-(cyclohexylmethyl)phenyl]thiolan-1-ium;(4-cyclohexyloxynaphthalen-1-yl)-diphenylsulfanium;[1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
SMILESO=C1C2CC3CC1CC(OC(=O)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)(C3)C2.O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.c1cc([S+]2CCCC2)ccc1CC1CCCCC1.c1ccc([S+](c2ccccc2)c2ccc(OC3CCCCC3)c3ccccc23)cc1.c1ccc2cc([S+](c3ccc(OCC4CCCCC4)cc3)c3ccc4ccccc4c3)ccc2c1
InChIInChI=1S/C33H31OS.C28H27OS.C17H25S.C13H13F5NO7S2.C4F10NO4S2.C4HF9O3S/c1-2-8-25(9-3-1)24-34-30-16-20-31(21-17-30)35(32-18-14-26-10-4-6-12-28(26)22-32)33-19-15-27-11-5-7-13-29(27)23-33;1-4-12-22(13-5-1)29-27-20-21-28(26-19-11-10-18-25(26)27)30(23-14-6-2-7-15-23)24-16-8-3-9-17-24;1-2-6-15(7-3-1)14-16-8-10-17(11-9-16)18-12-4-5-13-18;14-12(15,27(22,23)19-28(24,25)13(16,17)18)10(21)26-11-3-6-1-7(4-11)9(20)8(2-6)5-11;5-1(6,7)3(11,12)20(16,17)15-21(18,19)4(13,14)2(8,9)10;5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h4-7,10-23,25H,1-3,8-9,24H2;2-3,6-11,14-22H,1,4-5,12-13H2;8-11,15H,1-7,12-14H2;6-8H,1-5H2;;(H,14,15,16)/q3*+1;2*-1;/p-1
InChIKeyINGJXQGSZWWUJF-UHFFFAOYSA-M
XLogP27.39
TPSA283.79 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds26
Heavy Atoms149
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002282.34
LogP ≤ 527.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

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'}

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Related Compounds

4-(2,2,2-Trifluoroethoxy)-1-naphthyl-tetrahydrothiophenium 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate
CID 86664293
4-(2,2,2-Trifluoroethoxy)-1-naphthyl-tetrahydrothiophenium 1,1,3,3,3-pentafluoro-2-(4-oxoadamantane-1-carbonyloxy)-1-propanesulfonate
CID 86664295
4-(2,2,2-Trifluoroethoxy)-1-naphthyl-tetrahydrothiophenium 1,1,3,3,3-pentafluoro-2-(3,7,12-trioxocholanoyloxy)-1-propanesulfonate
CID 86664298
[2-[1-(4-Butoxynaphthalen-1-yl)thiolan-1-ium-2-yl]phenyl]-diphenylsulfanium;bis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate)
CID 87118736
2-(Adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium
CID 87139299
2-(Adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;1-[4-[2-(2-methoxyethoxy)ethoxy]naphthalen-1-yl]thiolan-1-ium
CID 87139420
2-(Adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;1-[4-(2-methoxyethoxy)naphthalen-1-yl]thiolan-1-ium
CID 87139423
2-(Adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;1-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]thiolan-1-ium
CID 87339482
2-[(4R)-4-[(10S,13R,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;1-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]thiolan-1-ium
CID 87339676
2-(Adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium
CID 87452570
[2-[1-(4-Butoxynaphthalen-1-yl)thiolan-1-yl]oxysulfonyl-2,2-difluoroethyl] adamantane-1-carboxylate
CID 87452571
[4-[1-(4-Butoxynaphthalen-1-yl)thiolan-1-yl]oxysulfonyl-3,4,4-trifluorobutyl] adamantane-1-carboxylate
CID 89858851

Frequently Asked Questions

What is the IUPAC name of bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;[4-(cyclohexylmethoxy)phenyl]-dinaphthalen-2-ylsulfanium;1-[4-(cyclohexylmethyl)phenyl]thiolan-1-ium;(4-cyclohexyloxynaphthalen-1-yl)-diphenylsulfanium;[1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate?
The IUPAC name of bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;[4-(cyclohexylmethoxy)phenyl]-dinaphthalen-2-ylsulfanium;1-[4-(cyclohexylmethyl)phenyl]thiolan-1-ium;(4-cyclohexyloxynaphthalen-1-yl)-diphenylsulfanium;[1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate (CID 158749217) is bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;[4-(cyclohexylmethoxy)phenyl]-dinaphthalen-2-ylsulfanium;1-[4-(cyclohexylmethyl)phenyl]thiolan-1-ium;(4-cyclohexyloxynaphthalen-1-yl)-diphenylsulfanium;[1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate.
What is the SMILES notation for bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;[4-(cyclohexylmethoxy)phenyl]-dinaphthalen-2-ylsulfanium;1-[4-(cyclohexylmethyl)phenyl]thiolan-1-ium;(4-cyclohexyloxynaphthalen-1-yl)-diphenylsulfanium;[1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate?
The canonical SMILES for bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;[4-(cyclohexylmethoxy)phenyl]-dinaphthalen-2-ylsulfanium;1-[4-(cyclohexylmethyl)phenyl]thiolan-1-ium;(4-cyclohexyloxynaphthalen-1-yl)-diphenylsulfanium;[1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate is O=C1C2CC3CC1CC(OC(=O)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)(C3)C2.O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.c1cc([S+]2CCCC2)ccc1CC1CCCCC1.c1ccc([S+](c2ccccc2)c2ccc(OC3CCCCC3)c3ccccc23)cc1.c1ccc2cc([S+](c3ccc(OCC4CCCCC4)cc3)c3ccc4ccccc4c3)ccc2c1.
What is the InChIKey of bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;[4-(cyclohexylmethoxy)phenyl]-dinaphthalen-2-ylsulfanium;1-[4-(cyclohexylmethyl)phenyl]thiolan-1-ium;(4-cyclohexyloxynaphthalen-1-yl)-diphenylsulfanium;[1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate?
The InChIKey is INGJXQGSZWWUJF-UHFFFAOYSA-M. The full InChI is InChI=1S/C33H31OS.C28H27OS.C17H25S.C13H13F5NO7S2.C4F10NO4S2.C4HF9O3S/c1-2-8-25(9-3-1)24-34-30-16-20-31(21-17-30)35(32-18-14-26-10-4-6-12-28(26)22-32)33-19-15-27-11-5-7-13-29(27)23-33;1-4-12-22(13-5-1)29-27-20-21-28(26-19-11-10-18-25(26)27)30(23-14-6-2-7-15-23)24-16-8-3-9-17-24;1-2-6-15(7-3-1)14-16-8-10-17(11-9-16)18-12-4-5-13-18;14-12(15,27(22,23)19-28(24,25)13(16,17)18)10(21)26-11-3-6-1-7(4-11)9(20)8(2-6)5-11;5-1(6,7)3(11,12)20(16,17)15-21(18,19)4(13,14)2(8,9)10;5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h4-7,10-23,25H,1-3,8-9,24H2;2-3,6-11,14-22H,1,4-5,12-13H2;8-11,15H,1-7,12-14H2;6-8H,1-5H2;;(H,14,15,16)/q3*+1;2*-1;/p-1.
What are the key properties of bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;[4-(cyclohexylmethoxy)phenyl]-dinaphthalen-2-ylsulfanium;1-[4-(cyclohexylmethyl)phenyl]thiolan-1-ium;(4-cyclohexyloxynaphthalen-1-yl)-diphenylsulfanium;[1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate?
bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;[4-(cyclohexylmethoxy)phenyl]-dinaphthalen-2-ylsulfanium;1-[4-(cyclohexylmethyl)phenyl]thiolan-1-ium;(4-cyclohexyloxynaphthalen-1-yl)-diphenylsulfanium;[1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate has a molecular weight of 2282.34 g/mol, XLogP of 27.39, 26 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;[4-(cyclohexylmethoxy)phenyl]-dinaphthalen-2-ylsulfanium;1-[4-(cyclohexylmethyl)phenyl]thiolan-1-ium;(4-cyclohexyloxynaphthalen-1-yl)-diphenylsulfanium;[1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate is sourced from PubChem (CID 158749217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).