[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1,1-difluoro-2-oxoethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1,1-difluoro-2-oxoethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethyl]sulfonyl-(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonylazanide;bis[[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropyl]sulfonyl]azanide;bis[(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonyl]azanide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-tert-butylphenyl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;[1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl]sulfonyl-[1,1-difluoro-2-oxo-2-(4-oxopiperidin-1-yl)ethyl]sulfonylazanide;[1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;tris(triphenylsulfanium)

C242H286F39N15O50S23 — CID 159057941

IUPAC[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1,1-difluoro-2-oxoethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1,1-difluoro-2-oxoethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethyl]sulfonyl-(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonylazanide;bis[[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropyl]sulfonyl]azanide;bis[(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonyl]azanide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-tert-butylphenyl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;[1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl]sulfonyl-[1,1-difluoro-2-oxo-2-(4-oxopiperidin-1-yl)ethyl]sulfonylazanide;[1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;tris(triphenylsulfanium)
SMILESCC(C)(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCCC1.CC(C)(C)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(C)(C)c1ccc([S+]2CCCC2)cc1.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.O=C(N1CCC2CCCCC2C1)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.O=C(N1CCCC2CCCCC21)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.O=C(N1CCCCC1)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)C(=O)N1CCCCC1.O=C(OCC12CC3CC(CC(C3)C1)C2)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)C(=O)N1CCCCC1.O=C1C2CC3CC1CC(OC(=O)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)(C3)C2.O=C1CCN(C(=O)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)C(=O)OC23CC4CC(C2)C(=O)C(C4)C3)CC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCC2CCCCC2C1)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCC2CCCCC2C1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H32F12N3O8S4.C22H23OS.C20H27F4N2O7S2.C20H29OS.C19H21F4N2O9S2.C18H23OS.3C18H15S.C14H20F4N3O6S2.C14H21S.C13H13F5NO7S2.2C12H16F5N2O5S2/c25-19(26,23(33,34)50(44,45)38-11-9-15-5-1-3-7-17(15)13-38)21(29,30)48(40,41)37-49(42,43)22(31,32)20(27,28)24(35,36)51(46,47)39-12-10-16-6-2-4-8-18(16)14-39;1-22(2,3)23-18-14-16-21(17-15-18)24(19-10-6-4-7-11-19)20-12-8-5-9-13-20;21-19(22,16(27)26-4-2-1-3-5-26)34(29,30)25-35(31,32)20(23,24)17(28)33-12-18-9-13-6-14(10-18)8-15(7-13)11-18;1-20(2,22-14-6-7-15-22)19(21)18-12-10-17(11-13-18)16-8-4-3-5-9-16;20-18(21,15(28)25-3-1-13(26)2-4-25)35(30,31)24-36(32,33)19(22,23)16(29)34-17-7-10-5-11(8-17)14(27)12(6-10)9-17;1-2-3-12-19-17-10-11-18(20-13-6-7-14-20)16-9-5-4-8-15(16)17;3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;15-13(16,11(22)20-7-3-1-4-8-20)28(24,25)19-29(26,27)14(17,18)12(23)21-9-5-2-6-10-21;1-14(2,3)12-6-8-13(9-7-12)15-10-4-5-11-15;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;13-11(14,25(21,22)18-26(23,24)12(15,16)17)10(20)19-7-3-5-8-4-1-2-6-9(8)19;13-11(14,25(21,22)18-26(23,24)12(15,16)17)10(20)19-6-5-8-3-1-2-4-9(8)7-19/h15-18H,1-14H2;4-17H,1-3H3;13-15H,1-12H2;10-13,16H,3-9,14-15H2,1-2H3;10-12H,1-9H2;4-5,8-11H,2-3,6-7,12-14H2,1H3;3*1-15H;1-10H2;6-9H,4-5,10-11H2,1-3H3;6-8H,1-5H2;2*8-9H,1-7H2/q-1;+1;-1;+1;-1;4*+1;-1;+1;3*-1
InChIKeyJYCCFXAICCIQIP-UHFFFAOYSA-N
MW5683.47 g/mol
LogP50.91
Rot. Bonds69

About [2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1,1-difluoro-2-oxoethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1,1-difluoro-2-oxoethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethyl]sulfonyl-(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonylazanide;bis[[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropyl]sulfonyl]azanide;bis[(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonyl]azanide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-tert-butylphenyl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;[1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl]sulfonyl-[1,1-difluoro-2-oxo-2-(4-oxopiperidin-1-yl)ethyl]sulfonylazanide;[1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;tris(triphenylsulfanium)

[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1,1-difluoro-2-oxoethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1,1-difluoro-2-oxoethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethyl]sulfonyl-(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonylazanide;bis[[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropyl]sulfonyl]azanide;bis[(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonyl]azanide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-tert-butylphenyl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;[1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl]sulfonyl-[1,1-difluoro-2-oxo-2-(4-oxopiperidin-1-yl)ethyl]sulfonylazanide;[1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;tris(triphenylsulfanium) (PubChem CID 159057941) has the molecular formula C242H286F39N15O50S23 and a molecular weight of 5683.47 g/mol. Its IUPAC name is [2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1,1-difluoro-2-oxoethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1,1-difluoro-2-oxoethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethyl]sulfonyl-(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonylazanide;bis[[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropyl]sulfonyl]azanide;bis[(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonyl]azanide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-tert-butylphenyl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;[1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl]sulfonyl-[1,1-difluoro-2-oxo-2-(4-oxopiperidin-1-yl)ethyl]sulfonylazanide;[1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;tris(triphenylsulfanium).

Molecular Properties

Compound Name[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1,1-difluoro-2-oxoethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1,1-difluoro-2-oxoethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethyl]sulfonyl-(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonylazanide;bis[[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropyl]sulfonyl]azanide;bis[(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonyl]azanide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-tert-butylphenyl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;[1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl]sulfonyl-[1,1-difluoro-2-oxo-2-(4-oxopiperidin-1-yl)ethyl]sulfonylazanide;[1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;tris(triphenylsulfanium)
PubChem CID159057941
Molecular FormulaC242H286F39N15O50S23
Molecular Weight5683.47 g/mol
Exact Mass5678.33
IUPAC Name[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1,1-difluoro-2-oxoethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1,1-difluoro-2-oxoethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethyl]sulfonyl-(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonylazanide;bis[[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropyl]sulfonyl]azanide;bis[(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonyl]azanide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-tert-butylphenyl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;[1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl]sulfonyl-[1,1-difluoro-2-oxo-2-(4-oxopiperidin-1-yl)ethyl]sulfonylazanide;[1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;tris(triphenylsulfanium)
SMILESCC(C)(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCCC1.CC(C)(C)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(C)(C)c1ccc([S+]2CCCC2)cc1.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.O=C(N1CCC2CCCCC2C1)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.O=C(N1CCCC2CCCCC21)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.O=C(N1CCCCC1)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)C(=O)N1CCCCC1.O=C(OCC12CC3CC(CC(C3)C1)C2)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)C(=O)N1CCCCC1.O=C1C2CC3CC1CC(OC(=O)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)(C3)C2.O=C1CCN(C(=O)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)C(=O)OC23CC4CC(C2)C(=O)C(C4)C3)CC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCC2CCCCC2C1)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCC2CCCCC2C1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H32F12N3O8S4.C22H23OS.C20H27F4N2O7S2.C20H29OS.C19H21F4N2O9S2.C18H23OS.3C18H15S.C14H20F4N3O6S2.C14H21S.C13H13F5NO7S2.2C12H16F5N2O5S2/c25-19(26,23(33,34)50(44,45)38-11-9-15-5-1-3-7-17(15)13-38)21(29,30)48(40,41)37-49(42,43)22(31,32)20(27,28)24(35,36)51(46,47)39-12-10-16-6-2-4-8-18(16)14-39;1-22(2,3)23-18-14-16-21(17-15-18)24(19-10-6-4-7-11-19)20-12-8-5-9-13-20;21-19(22,16(27)26-4-2-1-3-5-26)34(29,30)25-35(31,32)20(23,24)17(28)33-12-18-9-13-6-14(10-18)8-15(7-13)11-18;1-20(2,22-14-6-7-15-22)19(21)18-12-10-17(11-13-18)16-8-4-3-5-9-16;20-18(21,15(28)25-3-1-13(26)2-4-25)35(30,31)24-36(32,33)19(22,23)16(29)34-17-7-10-5-11(8-17)14(27)12(6-10)9-17;1-2-3-12-19-17-10-11-18(20-13-6-7-14-20)16-9-5-4-8-15(16)17;3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;15-13(16,11(22)20-7-3-1-4-8-20)28(24,25)19-29(26,27)14(17,18)12(23)21-9-5-2-6-10-21;1-14(2,3)12-6-8-13(9-7-12)15-10-4-5-11-15;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;13-11(14,25(21,22)18-26(23,24)12(15,16)17)10(20)19-7-3-5-8-4-1-2-6-9(8)19;13-11(14,25(21,22)18-26(23,24)12(15,16)17)10(20)19-6-5-8-3-1-2-4-9(8)7-19/h15-18H,1-14H2;4-17H,1-3H3;13-15H,1-12H2;10-13,16H,3-9,14-15H2,1-2H3;10-12H,1-9H2;4-5,8-11H,2-3,6-7,12-14H2,1H3;3*1-15H;1-10H2;6-9H,4-5,10-11H2,1-3H3;6-8H,1-5H2;2*8-9H,1-7H2/q-1;+1;-1;+1;-1;4*+1;-1;+1;3*-1
InChIKeyJYCCFXAICCIQIP-UHFFFAOYSA-N
XLogP50.91
TPSA938.92 Ų
H-Bond Donors
H-Bond Acceptors50
Rotatable Bonds69
Heavy Atoms369
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005683.47
LogP ≤ 550.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1050

Analyze [2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1,1-difluoro-2-oxoethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1,1-difluoro-2-oxoethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethyl]sulfonyl-(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonylazanide;bis[[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropyl]sulfonyl]azanide;bis[(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonyl]azanide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-tert-butylphenyl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;[1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl]sulfonyl-[1,1-difluoro-2-oxo-2-(4-oxopiperidin-1-yl)ethyl]sulfonylazanide;[1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;tris(triphenylsulfanium) with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1,1-difluoro-2-oxoethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1,1-difluoro-2-oxoethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethyl]sulfonyl-(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonylazanide;bis[[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropyl]sulfonyl]azanide;bis[(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonyl]azanide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-tert-butylphenyl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;[1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl]sulfonyl-[1,1-difluoro-2-oxo-2-(4-oxopiperidin-1-yl)ethyl]sulfonylazanide;[1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;tris(triphenylsulfanium)?
The IUPAC name of [2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1,1-difluoro-2-oxoethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1,1-difluoro-2-oxoethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethyl]sulfonyl-(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonylazanide;bis[[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropyl]sulfonyl]azanide;bis[(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonyl]azanide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-tert-butylphenyl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;[1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl]sulfonyl-[1,1-difluoro-2-oxo-2-(4-oxopiperidin-1-yl)ethyl]sulfonylazanide;[1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;tris(triphenylsulfanium) (CID 159057941) is [2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1,1-difluoro-2-oxoethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1,1-difluoro-2-oxoethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethyl]sulfonyl-(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonylazanide;bis[[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropyl]sulfonyl]azanide;bis[(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonyl]azanide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-tert-butylphenyl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;[1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl]sulfonyl-[1,1-difluoro-2-oxo-2-(4-oxopiperidin-1-yl)ethyl]sulfonylazanide;[1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;tris(triphenylsulfanium).
What is the SMILES notation for [2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1,1-difluoro-2-oxoethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1,1-difluoro-2-oxoethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethyl]sulfonyl-(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonylazanide;bis[[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropyl]sulfonyl]azanide;bis[(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonyl]azanide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-tert-butylphenyl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;[1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl]sulfonyl-[1,1-difluoro-2-oxo-2-(4-oxopiperidin-1-yl)ethyl]sulfonylazanide;[1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;tris(triphenylsulfanium)?
The canonical SMILES for [2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1,1-difluoro-2-oxoethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1,1-difluoro-2-oxoethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethyl]sulfonyl-(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonylazanide;bis[[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropyl]sulfonyl]azanide;bis[(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonyl]azanide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-tert-butylphenyl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;[1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl]sulfonyl-[1,1-difluoro-2-oxo-2-(4-oxopiperidin-1-yl)ethyl]sulfonylazanide;[1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;tris(triphenylsulfanium) is CC(C)(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCCC1.CC(C)(C)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(C)(C)c1ccc([S+]2CCCC2)cc1.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.O=C(N1CCC2CCCCC2C1)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.O=C(N1CCCC2CCCCC21)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.O=C(N1CCCCC1)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)C(=O)N1CCCCC1.O=C(OCC12CC3CC(CC(C3)C1)C2)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)C(=O)N1CCCCC1.O=C1C2CC3CC1CC(OC(=O)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)(C3)C2.O=C1CCN(C(=O)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)C(=O)OC23CC4CC(C2)C(=O)C(C4)C3)CC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCC2CCCCC2C1)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCC2CCCCC2C1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1,1-difluoro-2-oxoethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1,1-difluoro-2-oxoethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethyl]sulfonyl-(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonylazanide;bis[[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropyl]sulfonyl]azanide;bis[(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonyl]azanide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-tert-butylphenyl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;[1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl]sulfonyl-[1,1-difluoro-2-oxo-2-(4-oxopiperidin-1-yl)ethyl]sulfonylazanide;[1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;tris(triphenylsulfanium)?
The InChIKey is JYCCFXAICCIQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32F12N3O8S4.C22H23OS.C20H27F4N2O7S2.C20H29OS.C19H21F4N2O9S2.C18H23OS.3C18H15S.C14H20F4N3O6S2.C14H21S.C13H13F5NO7S2.2C12H16F5N2O5S2/c25-19(26,23(33,34)50(44,45)38-11-9-15-5-1-3-7-17(15)13-38)21(29,30)48(40,41)37-49(42,43)22(31,32)20(27,28)24(35,36)51(46,47)39-12-10-16-6-2-4-8-18(16)14-39;1-22(2,3)23-18-14-16-21(17-15-18)24(19-10-6-4-7-11-19)20-12-8-5-9-13-20;21-19(22,16(27)26-4-2-1-3-5-26)34(29,30)25-35(31,32)20(23,24)17(28)33-12-18-9-13-6-14(10-18)8-15(7-13)11-18;1-20(2,22-14-6-7-15-22)19(21)18-12-10-17(11-13-18)16-8-4-3-5-9-16;20-18(21,15(28)25-3-1-13(26)2-4-25)35(30,31)24-36(32,33)19(22,23)16(29)34-17-7-10-5-11(8-17)14(27)12(6-10)9-17;1-2-3-12-19-17-10-11-18(20-13-6-7-14-20)16-9-5-4-8-15(16)17;3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;15-13(16,11(22)20-7-3-1-4-8-20)28(24,25)19-29(26,27)14(17,18)12(23)21-9-5-2-6-10-21;1-14(2,3)12-6-8-13(9-7-12)15-10-4-5-11-15;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;13-11(14,25(21,22)18-26(23,24)12(15,16)17)10(20)19-7-3-5-8-4-1-2-6-9(8)19;13-11(14,25(21,22)18-26(23,24)12(15,16)17)10(20)19-6-5-8-3-1-2-4-9(8)7-19/h15-18H,1-14H2;4-17H,1-3H3;13-15H,1-12H2;10-13,16H,3-9,14-15H2,1-2H3;10-12H,1-9H2;4-5,8-11H,2-3,6-7,12-14H2,1H3;3*1-15H;1-10H2;6-9H,4-5,10-11H2,1-3H3;6-8H,1-5H2;2*8-9H,1-7H2/q-1;+1;-1;+1;-1;4*+1;-1;+1;3*-1.
What are the key properties of [2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1,1-difluoro-2-oxoethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1,1-difluoro-2-oxoethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethyl]sulfonyl-(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonylazanide;bis[[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropyl]sulfonyl]azanide;bis[(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonyl]azanide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-tert-butylphenyl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;[1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl]sulfonyl-[1,1-difluoro-2-oxo-2-(4-oxopiperidin-1-yl)ethyl]sulfonylazanide;[1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;tris(triphenylsulfanium)?
[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1,1-difluoro-2-oxoethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1,1-difluoro-2-oxoethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethyl]sulfonyl-(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonylazanide;bis[[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropyl]sulfonyl]azanide;bis[(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonyl]azanide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-tert-butylphenyl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;[1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl]sulfonyl-[1,1-difluoro-2-oxo-2-(4-oxopiperidin-1-yl)ethyl]sulfonylazanide;[1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;tris(triphenylsulfanium) has a molecular weight of 5683.47 g/mol, XLogP of 50.91, 69 rotatable bonds, 0 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1,1-difluoro-2-oxoethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1,1-difluoro-2-oxoethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethyl]sulfonyl-(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonylazanide;bis[[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropyl]sulfonyl]azanide;bis[(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonyl]azanide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-tert-butylphenyl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;[1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl]sulfonyl-[1,1-difluoro-2-oxo-2-(4-oxopiperidin-1-yl)ethyl]sulfonylazanide;[1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;tris(triphenylsulfanium) is sourced from PubChem (CID 159057941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).