2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;bis(4-tert-butylphenyl)-[4-[1-[2-(dimethylamino)ethoxy]propan-2-yl]phenyl]sulfanium;[4-[2-[3-[bis(2-methoxyethyl)amino]propoxy]ethyl]phenyl]-bis(4-chlorophenyl)sulfanium;bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;[4-[1,3-bis[(2-piperidin-1-ylacetyl)oxy]propan-2-yl]phenyl]-diphenylsulfanium;[4-[2-(2-morpholin-4-ylacetyl)oxyethyl]phenyl]-diphenylsulfanium;[4-[2-(2-morpholin-4-ylethylsulfonylamino)ethyl]phenyl]-diphenylsulfanium;bis(4,4,5,5-tetrafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide);trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane

C172H202Cl2F28N10O35S16 — CID 158041005

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;bis(4-tert-butylphenyl)-[4-[1-[2-(dimethylamino)ethoxy]propan-2-yl]phenyl]sulfanium;[4-[2-[3-[bis(2-methoxyethyl)amino]propoxy]ethyl]phenyl]-bis(4-chlorophenyl)sulfanium;bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;[4-[1,3-bis[(2-piperidin-1-ylacetyl)oxy]propan-2-yl]phenyl]-diphenylsulfanium;[4-[2-(2-morpholin-4-ylacetyl)oxyethyl]phenyl]-diphenylsulfanium;[4-[2-(2-morpholin-4-ylethylsulfonylamino)ethyl]phenyl]-diphenylsulfanium;bis(4,4,5,5-tetrafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide);trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane
SMILESCC(COCCN(C)C)c1ccc([S+](c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1.COCCN(CCCOCCc1ccc([S+](c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1)CCOC.CS(=O)(=O)[C-](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.O=C(CN1CCCCC1)OCC(COC(=O)CN1CCCCC1)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C(CN1CCOCC1)OCCc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=S(=O)(CCN1CCOCC1)NCCc1ccc([S+](c2ccccc2)c2ccccc2)cc1.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)C1CC2CCC1C2.O=S1(=O)CC(F)(F)C(F)(F)S(=O)(=O)[N-]1.O=S1(=O)CC(F)(F)C(F)(F)S(=O)(=O)[N-]1
InChIInChI=1S/C35H43N2O4S.C33H46NOS.C29H36Cl2NO3S.C26H31N2O3S2.C26H28NO3S.C9H12F4O3S.C4F10NO4S2.C4H3F6O6S3.2C3H2F4NO4S2/c38-34(25-36-21-9-3-10-22-36)40-27-30(28-41-35(39)26-37-23-11-4-12-24-37)29-17-19-33(20-18-29)42(31-13-5-1-6-14-31)32-15-7-2-8-16-32;1-25(24-35-23-22-34(8)9)26-10-16-29(17-11-26)36(30-18-12-27(13-19-30)32(2,3)4)31-20-14-28(15-21-31)33(5,6)7;1-33-22-18-32(19-23-34-2)17-3-20-35-21-16-24-4-10-27(11-5-24)36(28-12-6-25(30)7-13-28)29-14-8-26(31)9-15-29;29-33(30,22-19-28-17-20-31-21-18-28)27-16-15-23-11-13-26(14-12-23)32(24-7-3-1-4-8-24)25-9-5-2-6-10-25;28-26(21-27-16-19-29-20-17-27)30-18-15-22-11-13-25(14-12-22)31(23-7-3-1-4-8-23)24-9-5-2-6-10-24;10-8(11,9(12,13)17(14,15)16)7-4-5-1-2-6(7)3-5;5-1(6,7)3(11,12)20(16,17)15-21(18,19)4(13,14)2(8,9)10;1-17(11,12)2(18(13,14)3(5,6)7)19(15,16)4(8,9)10;2*4-2(5)1-13(9,10)8-14(11,12)3(2,6)7/h1-2,5-8,13-20,30H,3-4,9-12,21-28H2;10-21,25H,22-24H2,1-9H3;4-15H,3,16-23H2,1-2H3;1-14,27H,15-22H2;1-14H,15-21H2;5-7H,1-4H2,(H,14,15,16);;1H3;2*1H2/q5*+1;;4*-1/p-1
InChIKeyFIISSZPVJDUMGM-UHFFFAOYSA-M
MW4085.46 g/mol
LogP33.79
Rot. Bonds65

About 2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;bis(4-tert-butylphenyl)-[4-[1-[2-(dimethylamino)ethoxy]propan-2-yl]phenyl]sulfanium;[4-[2-[3-[bis(2-methoxyethyl)amino]propoxy]ethyl]phenyl]-bis(4-chlorophenyl)sulfanium;bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;[4-[1,3-bis[(2-piperidin-1-ylacetyl)oxy]propan-2-yl]phenyl]-diphenylsulfanium;[4-[2-(2-morpholin-4-ylacetyl)oxyethyl]phenyl]-diphenylsulfanium;[4-[2-(2-morpholin-4-ylethylsulfonylamino)ethyl]phenyl]-diphenylsulfanium;bis(4,4,5,5-tetrafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide);trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane

2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;bis(4-tert-butylphenyl)-[4-[1-[2-(dimethylamino)ethoxy]propan-2-yl]phenyl]sulfanium;[4-[2-[3-[bis(2-methoxyethyl)amino]propoxy]ethyl]phenyl]-bis(4-chlorophenyl)sulfanium;bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;[4-[1,3-bis[(2-piperidin-1-ylacetyl)oxy]propan-2-yl]phenyl]-diphenylsulfanium;[4-[2-(2-morpholin-4-ylacetyl)oxyethyl]phenyl]-diphenylsulfanium;[4-[2-(2-morpholin-4-ylethylsulfonylamino)ethyl]phenyl]-diphenylsulfanium;bis(4,4,5,5-tetrafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide);trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane (PubChem CID 158041005) has the molecular formula C172H202Cl2F28N10O35S16 and a molecular weight of 4085.46 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;bis(4-tert-butylphenyl)-[4-[1-[2-(dimethylamino)ethoxy]propan-2-yl]phenyl]sulfanium;[4-[2-[3-[bis(2-methoxyethyl)amino]propoxy]ethyl]phenyl]-bis(4-chlorophenyl)sulfanium;bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;[4-[1,3-bis[(2-piperidin-1-ylacetyl)oxy]propan-2-yl]phenyl]-diphenylsulfanium;[4-[2-(2-morpholin-4-ylacetyl)oxyethyl]phenyl]-diphenylsulfanium;[4-[2-(2-morpholin-4-ylethylsulfonylamino)ethyl]phenyl]-diphenylsulfanium;bis(4,4,5,5-tetrafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide);trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;bis(4-tert-butylphenyl)-[4-[1-[2-(dimethylamino)ethoxy]propan-2-yl]phenyl]sulfanium;[4-[2-[3-[bis(2-methoxyethyl)amino]propoxy]ethyl]phenyl]-bis(4-chlorophenyl)sulfanium;bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;[4-[1,3-bis[(2-piperidin-1-ylacetyl)oxy]propan-2-yl]phenyl]-diphenylsulfanium;[4-[2-(2-morpholin-4-ylacetyl)oxyethyl]phenyl]-diphenylsulfanium;[4-[2-(2-morpholin-4-ylethylsulfonylamino)ethyl]phenyl]-diphenylsulfanium;bis(4,4,5,5-tetrafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide);trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane
PubChem CID158041005
Molecular FormulaC172H202Cl2F28N10O35S16
Molecular Weight4085.46 g/mol
Exact Mass4080.88
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;bis(4-tert-butylphenyl)-[4-[1-[2-(dimethylamino)ethoxy]propan-2-yl]phenyl]sulfanium;[4-[2-[3-[bis(2-methoxyethyl)amino]propoxy]ethyl]phenyl]-bis(4-chlorophenyl)sulfanium;bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;[4-[1,3-bis[(2-piperidin-1-ylacetyl)oxy]propan-2-yl]phenyl]-diphenylsulfanium;[4-[2-(2-morpholin-4-ylacetyl)oxyethyl]phenyl]-diphenylsulfanium;[4-[2-(2-morpholin-4-ylethylsulfonylamino)ethyl]phenyl]-diphenylsulfanium;bis(4,4,5,5-tetrafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide);trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane
SMILESCC(COCCN(C)C)c1ccc([S+](c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1.COCCN(CCCOCCc1ccc([S+](c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1)CCOC.CS(=O)(=O)[C-](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.O=C(CN1CCCCC1)OCC(COC(=O)CN1CCCCC1)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C(CN1CCOCC1)OCCc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=S(=O)(CCN1CCOCC1)NCCc1ccc([S+](c2ccccc2)c2ccccc2)cc1.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)C1CC2CCC1C2.O=S1(=O)CC(F)(F)C(F)(F)S(=O)(=O)[N-]1.O=S1(=O)CC(F)(F)C(F)(F)S(=O)(=O)[N-]1
InChIInChI=1S/C35H43N2O4S.C33H46NOS.C29H36Cl2NO3S.C26H31N2O3S2.C26H28NO3S.C9H12F4O3S.C4F10NO4S2.C4H3F6O6S3.2C3H2F4NO4S2/c38-34(25-36-21-9-3-10-22-36)40-27-30(28-41-35(39)26-37-23-11-4-12-24-37)29-17-19-33(20-18-29)42(31-13-5-1-6-14-31)32-15-7-2-8-16-32;1-25(24-35-23-22-34(8)9)26-10-16-29(17-11-26)36(30-18-12-27(13-19-30)32(2,3)4)31-20-14-28(15-21-31)33(5,6)7;1-33-22-18-32(19-23-34-2)17-3-20-35-21-16-24-4-10-27(11-5-24)36(28-12-6-25(30)7-13-28)29-14-8-26(31)9-15-29;29-33(30,22-19-28-17-20-31-21-18-28)27-16-15-23-11-13-26(14-12-23)32(24-7-3-1-4-8-24)25-9-5-2-6-10-25;28-26(21-27-16-19-29-20-17-27)30-18-15-22-11-13-25(14-12-22)31(23-7-3-1-4-8-23)24-9-5-2-6-10-24;10-8(11,9(12,13)17(14,15)16)7-4-5-1-2-6(7)3-5;5-1(6,7)3(11,12)20(16,17)15-21(18,19)4(13,14)2(8,9)10;1-17(11,12)2(18(13,14)3(5,6)7)19(15,16)4(8,9)10;2*4-2(5)1-13(9,10)8-14(11,12)3(2,6)7/h1-2,5-8,13-20,30H,3-4,9-12,21-28H2;10-21,25H,22-24H2,1-9H3;4-15H,3,16-23H2,1-2H3;1-14,27H,15-22H2;1-14H,15-21H2;5-7H,1-4H2,(H,14,15,16);;1H3;2*1H2/q5*+1;;4*-1/p-1
InChIKeyFIISSZPVJDUMGM-UHFFFAOYSA-M
XLogP33.79
TPSA606.65 Ų
H-Bond Donors1
H-Bond Acceptors41
Rotatable Bonds65
Heavy Atoms263
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004085.46
LogP ≤ 533.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1041

Analyze 2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;bis(4-tert-butylphenyl)-[4-[1-[2-(dimethylamino)ethoxy]propan-2-yl]phenyl]sulfanium;[4-[2-[3-[bis(2-methoxyethyl)amino]propoxy]ethyl]phenyl]-bis(4-chlorophenyl)sulfanium;bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;[4-[1,3-bis[(2-piperidin-1-ylacetyl)oxy]propan-2-yl]phenyl]-diphenylsulfanium;[4-[2-(2-morpholin-4-ylacetyl)oxyethyl]phenyl]-diphenylsulfanium;[4-[2-(2-morpholin-4-ylethylsulfonylamino)ethyl]phenyl]-diphenylsulfanium;bis(4,4,5,5-tetrafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide);trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane with MolForge

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Related Compounds

3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;bis(4-tert-butylphenyl)-[4-[1-[2-(dimethylamino)ethoxy]propan-2-yl]phenyl]sulfanium;[4-[3-[2-[bis(2-methoxyethyl)amino]acetyl]oxypropyl]phenyl]-bis(4-methylphenyl)sulfanium;[4-[2-[3-[bis(2-methoxyethyl)amino]propoxy]ethyl]phenyl]-bis(4-chlorophenyl)sulfanium;[4-[3-(dimethylamino)propoxymethyl]phenyl]-bis(4-fluorophenyl)sulfanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;4,4,5,5-tetrafluoro-1lambda6,3lambda6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide
CID 157200513
Bis(4-tert-butylphenyl)-[4-[1-[2-(dimethylamino)ethoxy]propan-2-yl]phenyl]sulfanium;bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;[4-[1,3-bis[(2-piperidin-1-ylacetyl)oxy]propan-2-yl]phenyl]-diphenylsulfanium;[4-[2-(2-morpholin-4-ylacetyl)oxyethyl]phenyl]-diphenylsulfanium;[4-[2-(2-morpholin-4-ylethylsulfonylamino)ethyl]phenyl]-diphenylsulfanium;bis(4,4,5,5-tetrafluoro-1lambda6,3lambda6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide);trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane
CID 160409469
2-(2-Bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;bis(4-tert-butylphenyl)-[4-[1-[2-(dimethylamino)ethoxy]propan-2-yl]phenyl]sulfanium;[4-[2-[3-[bis(2-methoxyethyl)amino]propoxy]ethyl]phenyl]-bis(4-chlorophenyl)sulfanium;[4-[1,3-bis[(2-piperidin-1-ylacetyl)oxy]propan-2-yl]phenyl]-diphenylsulfanium;bis(4,4,5,5-tetrafluoro-1lambda6,3lambda6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide)
CID 164965730

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;bis(4-tert-butylphenyl)-[4-[1-[2-(dimethylamino)ethoxy]propan-2-yl]phenyl]sulfanium;[4-[2-[3-[bis(2-methoxyethyl)amino]propoxy]ethyl]phenyl]-bis(4-chlorophenyl)sulfanium;bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;[4-[1,3-bis[(2-piperidin-1-ylacetyl)oxy]propan-2-yl]phenyl]-diphenylsulfanium;[4-[2-(2-morpholin-4-ylacetyl)oxyethyl]phenyl]-diphenylsulfanium;[4-[2-(2-morpholin-4-ylethylsulfonylamino)ethyl]phenyl]-diphenylsulfanium;bis(4,4,5,5-tetrafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide);trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;bis(4-tert-butylphenyl)-[4-[1-[2-(dimethylamino)ethoxy]propan-2-yl]phenyl]sulfanium;[4-[2-[3-[bis(2-methoxyethyl)amino]propoxy]ethyl]phenyl]-bis(4-chlorophenyl)sulfanium;bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;[4-[1,3-bis[(2-piperidin-1-ylacetyl)oxy]propan-2-yl]phenyl]-diphenylsulfanium;[4-[2-(2-morpholin-4-ylacetyl)oxyethyl]phenyl]-diphenylsulfanium;[4-[2-(2-morpholin-4-ylethylsulfonylamino)ethyl]phenyl]-diphenylsulfanium;bis(4,4,5,5-tetrafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide);trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane (CID 158041005) is 2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;bis(4-tert-butylphenyl)-[4-[1-[2-(dimethylamino)ethoxy]propan-2-yl]phenyl]sulfanium;[4-[2-[3-[bis(2-methoxyethyl)amino]propoxy]ethyl]phenyl]-bis(4-chlorophenyl)sulfanium;bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;[4-[1,3-bis[(2-piperidin-1-ylacetyl)oxy]propan-2-yl]phenyl]-diphenylsulfanium;[4-[2-(2-morpholin-4-ylacetyl)oxyethyl]phenyl]-diphenylsulfanium;[4-[2-(2-morpholin-4-ylethylsulfonylamino)ethyl]phenyl]-diphenylsulfanium;bis(4,4,5,5-tetrafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide);trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;bis(4-tert-butylphenyl)-[4-[1-[2-(dimethylamino)ethoxy]propan-2-yl]phenyl]sulfanium;[4-[2-[3-[bis(2-methoxyethyl)amino]propoxy]ethyl]phenyl]-bis(4-chlorophenyl)sulfanium;bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;[4-[1,3-bis[(2-piperidin-1-ylacetyl)oxy]propan-2-yl]phenyl]-diphenylsulfanium;[4-[2-(2-morpholin-4-ylacetyl)oxyethyl]phenyl]-diphenylsulfanium;[4-[2-(2-morpholin-4-ylethylsulfonylamino)ethyl]phenyl]-diphenylsulfanium;bis(4,4,5,5-tetrafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide);trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;bis(4-tert-butylphenyl)-[4-[1-[2-(dimethylamino)ethoxy]propan-2-yl]phenyl]sulfanium;[4-[2-[3-[bis(2-methoxyethyl)amino]propoxy]ethyl]phenyl]-bis(4-chlorophenyl)sulfanium;bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;[4-[1,3-bis[(2-piperidin-1-ylacetyl)oxy]propan-2-yl]phenyl]-diphenylsulfanium;[4-[2-(2-morpholin-4-ylacetyl)oxyethyl]phenyl]-diphenylsulfanium;[4-[2-(2-morpholin-4-ylethylsulfonylamino)ethyl]phenyl]-diphenylsulfanium;bis(4,4,5,5-tetrafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide);trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane is CC(COCCN(C)C)c1ccc([S+](c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1.COCCN(CCCOCCc1ccc([S+](c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1)CCOC.CS(=O)(=O)[C-](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.O=C(CN1CCCCC1)OCC(COC(=O)CN1CCCCC1)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C(CN1CCOCC1)OCCc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=S(=O)(CCN1CCOCC1)NCCc1ccc([S+](c2ccccc2)c2ccccc2)cc1.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)C1CC2CCC1C2.O=S1(=O)CC(F)(F)C(F)(F)S(=O)(=O)[N-]1.O=S1(=O)CC(F)(F)C(F)(F)S(=O)(=O)[N-]1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;bis(4-tert-butylphenyl)-[4-[1-[2-(dimethylamino)ethoxy]propan-2-yl]phenyl]sulfanium;[4-[2-[3-[bis(2-methoxyethyl)amino]propoxy]ethyl]phenyl]-bis(4-chlorophenyl)sulfanium;bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;[4-[1,3-bis[(2-piperidin-1-ylacetyl)oxy]propan-2-yl]phenyl]-diphenylsulfanium;[4-[2-(2-morpholin-4-ylacetyl)oxyethyl]phenyl]-diphenylsulfanium;[4-[2-(2-morpholin-4-ylethylsulfonylamino)ethyl]phenyl]-diphenylsulfanium;bis(4,4,5,5-tetrafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide);trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane?
The InChIKey is FIISSZPVJDUMGM-UHFFFAOYSA-M. The full InChI is InChI=1S/C35H43N2O4S.C33H46NOS.C29H36Cl2NO3S.C26H31N2O3S2.C26H28NO3S.C9H12F4O3S.C4F10NO4S2.C4H3F6O6S3.2C3H2F4NO4S2/c38-34(25-36-21-9-3-10-22-36)40-27-30(28-41-35(39)26-37-23-11-4-12-24-37)29-17-19-33(20-18-29)42(31-13-5-1-6-14-31)32-15-7-2-8-16-32;1-25(24-35-23-22-34(8)9)26-10-16-29(17-11-26)36(30-18-12-27(13-19-30)32(2,3)4)31-20-14-28(15-21-31)33(5,6)7;1-33-22-18-32(19-23-34-2)17-3-20-35-21-16-24-4-10-27(11-5-24)36(28-12-6-25(30)7-13-28)29-14-8-26(31)9-15-29;29-33(30,22-19-28-17-20-31-21-18-28)27-16-15-23-11-13-26(14-12-23)32(24-7-3-1-4-8-24)25-9-5-2-6-10-25;28-26(21-27-16-19-29-20-17-27)30-18-15-22-11-13-25(14-12-22)31(23-7-3-1-4-8-23)24-9-5-2-6-10-24;10-8(11,9(12,13)17(14,15)16)7-4-5-1-2-6(7)3-5;5-1(6,7)3(11,12)20(16,17)15-21(18,19)4(13,14)2(8,9)10;1-17(11,12)2(18(13,14)3(5,6)7)19(15,16)4(8,9)10;2*4-2(5)1-13(9,10)8-14(11,12)3(2,6)7/h1-2,5-8,13-20,30H,3-4,9-12,21-28H2;10-21,25H,22-24H2,1-9H3;4-15H,3,16-23H2,1-2H3;1-14,27H,15-22H2;1-14H,15-21H2;5-7H,1-4H2,(H,14,15,16);;1H3;2*1H2/q5*+1;;4*-1/p-1.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;bis(4-tert-butylphenyl)-[4-[1-[2-(dimethylamino)ethoxy]propan-2-yl]phenyl]sulfanium;[4-[2-[3-[bis(2-methoxyethyl)amino]propoxy]ethyl]phenyl]-bis(4-chlorophenyl)sulfanium;bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;[4-[1,3-bis[(2-piperidin-1-ylacetyl)oxy]propan-2-yl]phenyl]-diphenylsulfanium;[4-[2-(2-morpholin-4-ylacetyl)oxyethyl]phenyl]-diphenylsulfanium;[4-[2-(2-morpholin-4-ylethylsulfonylamino)ethyl]phenyl]-diphenylsulfanium;bis(4,4,5,5-tetrafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide);trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane?
2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;bis(4-tert-butylphenyl)-[4-[1-[2-(dimethylamino)ethoxy]propan-2-yl]phenyl]sulfanium;[4-[2-[3-[bis(2-methoxyethyl)amino]propoxy]ethyl]phenyl]-bis(4-chlorophenyl)sulfanium;bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;[4-[1,3-bis[(2-piperidin-1-ylacetyl)oxy]propan-2-yl]phenyl]-diphenylsulfanium;[4-[2-(2-morpholin-4-ylacetyl)oxyethyl]phenyl]-diphenylsulfanium;[4-[2-(2-morpholin-4-ylethylsulfonylamino)ethyl]phenyl]-diphenylsulfanium;bis(4,4,5,5-tetrafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide);trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane has a molecular weight of 4085.46 g/mol, XLogP of 33.79, 65 rotatable bonds, 1 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;bis(4-tert-butylphenyl)-[4-[1-[2-(dimethylamino)ethoxy]propan-2-yl]phenyl]sulfanium;[4-[2-[3-[bis(2-methoxyethyl)amino]propoxy]ethyl]phenyl]-bis(4-chlorophenyl)sulfanium;bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;[4-[1,3-bis[(2-piperidin-1-ylacetyl)oxy]propan-2-yl]phenyl]-diphenylsulfanium;[4-[2-(2-morpholin-4-ylacetyl)oxyethyl]phenyl]-diphenylsulfanium;[4-[2-(2-morpholin-4-ylethylsulfonylamino)ethyl]phenyl]-diphenylsulfanium;bis(4,4,5,5-tetrafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide);trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane is sourced from PubChem (CID 158041005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).