2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;[4-[1-[2-[cyanomethyl(methyl)amino]acetyl]oxyethyl]phenyl]-diphenylsulfanium;[4-[2-[2-[(2-ethoxy-2-oxoethyl)-methylamino]acetyl]oxyethyl]phenyl]-diphenylsulfanium;[4-[2-[2-[methyl-(2-oxooxolan-3-yl)amino]acetyl]oxyethyl]phenyl]-diphenylsulfanium;[4-[2-[3-[methyl-(2-oxooxolan-3-yl)amino]propoxy]ethyl]phenyl]-diphenylsulfanium;[4-[2-(2-morpholin-4-ylacetyl)oxyethyl]phenyl]-diphenylsulfanium;bis(4,4,5,5-tetrafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide);trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane

C156H161F28N9O37S15 — CID 160952078

About 2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;[4-[1-[2-[cyanomethyl(methyl)amino]acetyl]oxyethyl]phenyl]-diphenylsulfanium;[4-[2-[2-[(2-ethoxy-2-oxoethyl)-methylamino]acetyl]oxyethyl]phenyl]-diphenylsulfanium;[4-[2-[2-[methyl-(2-oxooxolan-3-yl)amino]acetyl]oxyethyl]phenyl]-diphenylsulfanium;[4-[2-[3-[methyl-(2-oxooxolan-3-yl)amino]propoxy]ethyl]phenyl]-diphenylsulfanium;[4-[2-(2-morpholin-4-ylacetyl)oxyethyl]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(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;[4-[1-[2-[cyanomethyl(methyl)amino]acetyl]oxyethyl]phenyl]-diphenylsulfanium;[4-[2-[2-[(2-ethoxy-2-oxoethyl)-methylamino]acetyl]oxyethyl]phenyl]-diphenylsulfanium;[4-[2-[2-[methyl-(2-oxooxolan-3-yl)amino]acetyl]oxyethyl]phenyl]-diphenylsulfanium;[4-[2-[3-[methyl-(2-oxooxolan-3-yl)amino]propoxy]ethyl]phenyl]-diphenylsulfanium;[4-[2-(2-morpholin-4-ylacetyl)oxyethyl]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 160952078) has the molecular formula C156H161F28N9O37S15 and a molecular weight of 3766.98 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;[4-[1-[2-[cyanomethyl(methyl)amino]acetyl]oxyethyl]phenyl]-diphenylsulfanium;[4-[2-[2-[(2-ethoxy-2-oxoethyl)-methylamino]acetyl]oxyethyl]phenyl]-diphenylsulfanium;[4-[2-[2-[methyl-(2-oxooxolan-3-yl)amino]acetyl]oxyethyl]phenyl]-diphenylsulfanium;[4-[2-[3-[methyl-(2-oxooxolan-3-yl)amino]propoxy]ethyl]phenyl]-diphenylsulfanium;[4-[2-(2-morpholin-4-ylacetyl)oxyethyl]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 Name: 2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;[4-[1-[2-[cyanomethyl(methyl)amino]acetyl]oxyethyl]phenyl]-diphenylsulfanium;[4-[2-[2-[(2-ethoxy-2-oxoethyl)-methylamino]acetyl]oxyethyl]phenyl]-diphenylsulfanium;[4-[2-[2-[methyl-(2-oxooxolan-3-yl)amino]acetyl]oxyethyl]phenyl]-diphenylsulfanium;[4-[2-[3-[methyl-(2-oxooxolan-3-yl)amino]propoxy]ethyl]phenyl]-diphenylsulfanium;[4-[2-(2-morpholin-4-ylacetyl)oxyethyl]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: 160952078
• Molecular Formula: C156H161F28N9O37S15
• Molecular Weight: 3766.98 g/mol
• Exact Mass: 3763.64
• IUPAC Name: 2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;[4-[1-[2-[cyanomethyl(methyl)amino]acetyl]oxyethyl]phenyl]-diphenylsulfanium;[4-[2-[2-[(2-ethoxy-2-oxoethyl)-methylamino]acetyl]oxyethyl]phenyl]-diphenylsulfanium;[4-[2-[2-[methyl-(2-oxooxolan-3-yl)amino]acetyl]oxyethyl]phenyl]-diphenylsulfanium;[4-[2-[3-[methyl-(2-oxooxolan-3-yl)amino]propoxy]ethyl]phenyl]-diphenylsulfanium;[4-[2-(2-morpholin-4-ylacetyl)oxyethyl]phenyl]-diphenylsulfanium;bis(4,4,5,5-tetrafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide);trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane
• SMILES: CC(OC(=O)CN(C)CC#N)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.CCOC(=O)CN(C)CC(=O)OCCc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CN(CC(=O)OCCc1ccc([S+](c2ccccc2)c2ccccc2)cc1)C1CCOC1=O.CN(CCCOCCc1ccc([S+](c2ccccc2)c2ccccc2)cc1)C1CCOC1=O.CS(=O)(=O)[C-](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.O=C(CN1CCOCC1)OCCc1ccc([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
• InChI: InChI=1S/C28H32NO3S.C27H28NO4S.C27H30NO4S.C26H28NO3S.C25H25N2O2S.C9H12F4O3S.C4F10NO4S2.C4H3F6O6S3.2C3H2F4NO4S2/c1-29(27-18-22-32-28(27)30)19-8-20-31-21-17-23-13-15-26(16-14-23)33(24-9-4-2-5-10-24)25-11-6-3-7-12-25;1-28(25-17-19-32-27(25)30)20-26(29)31-18-16-21-12-14-24(15-13-21)33(22-8-4-2-5-9-22)23-10-6-3-7-11-23;1-3-31-26(29)20-28(2)21-27(30)32-19-18-22-14-16-25(17-15-22)33(23-10-6-4-7-11-23)24-12-8-5-9-13-24;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;1-20(29-25(28)19-27(2)18-17-26)21-13-15-24(16-14-21)30(22-9-5-3-6-10-22)23-11-7-4-8-12-23;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/h2-7,9-16,27H,8,17-22H2,1H3;2-15,25H,16-20H2,1H3;4-17H,3,18-21H2,1-2H3;1-14H,15-21H2;3-16,20H,18-19H2,1-2H3;5-7H,1-4H2,(H,14,15,16);;1H3;2*1H2/q5*+1;;4*-1/p-1
• InChIKey: SVWUWEGMHMUGJC-UHFFFAOYSA-M
• XLogP: 27.89
• TPSA: 649.31 Ų
• H-Bond Acceptors: 43
• Rotatable Bonds: 57
• Heavy Atoms: 245
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3766.98
LogP ≤ 5	27.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'cyanamide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;[4-[1-[2-[cyanomethyl(methyl)amino]acetyl]oxyethyl]phenyl]-diphenylsulfanium;[4-[2-[2-[(2-ethoxy-2-oxoethyl)-methylamino]acetyl]oxyethyl]phenyl]-diphenylsulfanium;[4-[2-[2-[methyl-(2-oxooxolan-3-yl)amino]acetyl]oxyethyl]phenyl]-diphenylsulfanium;[4-[2-[3-[methyl-(2-oxooxolan-3-yl)amino]propoxy]ethyl]phenyl]-diphenylsulfanium;[4-[2-(2-morpholin-4-ylacetyl)oxyethyl]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(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;[4-[1-[2-[cyanomethyl(methyl)amino]acetyl]oxyethyl]phenyl]-diphenylsulfanium;[4-[2-[2-[(2-ethoxy-2-oxoethyl)-methylamino]acetyl]oxyethyl]phenyl]-diphenylsulfanium;[4-[2-[2-[methyl-(2-oxooxolan-3-yl)amino]acetyl]oxyethyl]phenyl]-diphenylsulfanium;[4-[2-[3-[methyl-(2-oxooxolan-3-yl)amino]propoxy]ethyl]phenyl]-diphenylsulfanium;[4-[2-(2-morpholin-4-ylacetyl)oxyethyl]phenyl]-diphenylsulfanium;bis(4,4,5,5-tetrafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide);trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane (CID 160952078) is 2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;[4-[1-[2-[cyanomethyl(methyl)amino]acetyl]oxyethyl]phenyl]-diphenylsulfanium;[4-[2-[2-[(2-ethoxy-2-oxoethyl)-methylamino]acetyl]oxyethyl]phenyl]-diphenylsulfanium;[4-[2-[2-[methyl-(2-oxooxolan-3-yl)amino]acetyl]oxyethyl]phenyl]-diphenylsulfanium;[4-[2-[3-[methyl-(2-oxooxolan-3-yl)amino]propoxy]ethyl]phenyl]-diphenylsulfanium;[4-[2-(2-morpholin-4-ylacetyl)oxyethyl]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(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;[4-[1-[2-[cyanomethyl(methyl)amino]acetyl]oxyethyl]phenyl]-diphenylsulfanium;[4-[2-[2-[(2-ethoxy-2-oxoethyl)-methylamino]acetyl]oxyethyl]phenyl]-diphenylsulfanium;[4-[2-[2-[methyl-(2-oxooxolan-3-yl)amino]acetyl]oxyethyl]phenyl]-diphenylsulfanium;[4-[2-[3-[methyl-(2-oxooxolan-3-yl)amino]propoxy]ethyl]phenyl]-diphenylsulfanium;[4-[2-(2-morpholin-4-ylacetyl)oxyethyl]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(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;[4-[1-[2-[cyanomethyl(methyl)amino]acetyl]oxyethyl]phenyl]-diphenylsulfanium;[4-[2-[2-[(2-ethoxy-2-oxoethyl)-methylamino]acetyl]oxyethyl]phenyl]-diphenylsulfanium;[4-[2-[2-[methyl-(2-oxooxolan-3-yl)amino]acetyl]oxyethyl]phenyl]-diphenylsulfanium;[4-[2-[3-[methyl-(2-oxooxolan-3-yl)amino]propoxy]ethyl]phenyl]-diphenylsulfanium;[4-[2-(2-morpholin-4-ylacetyl)oxyethyl]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(OC(=O)CN(C)CC#N)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.CCOC(=O)CN(C)CC(=O)OCCc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CN(CC(=O)OCCc1ccc([S+](c2ccccc2)c2ccccc2)cc1)C1CCOC1=O.CN(CCCOCCc1ccc([S+](c2ccccc2)c2ccccc2)cc1)C1CCOC1=O.CS(=O)(=O)[C-](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.O=C(CN1CCOCC1)OCCc1ccc([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(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;[4-[1-[2-[cyanomethyl(methyl)amino]acetyl]oxyethyl]phenyl]-diphenylsulfanium;[4-[2-[2-[(2-ethoxy-2-oxoethyl)-methylamino]acetyl]oxyethyl]phenyl]-diphenylsulfanium;[4-[2-[2-[methyl-(2-oxooxolan-3-yl)amino]acetyl]oxyethyl]phenyl]-diphenylsulfanium;[4-[2-[3-[methyl-(2-oxooxolan-3-yl)amino]propoxy]ethyl]phenyl]-diphenylsulfanium;[4-[2-(2-morpholin-4-ylacetyl)oxyethyl]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 SVWUWEGMHMUGJC-UHFFFAOYSA-M. The full InChI is InChI=1S/C28H32NO3S.C27H28NO4S.C27H30NO4S.C26H28NO3S.C25H25N2O2S.C9H12F4O3S.C4F10NO4S2.C4H3F6O6S3.2C3H2F4NO4S2/c1-29(27-18-22-32-28(27)30)19-8-20-31-21-17-23-13-15-26(16-14-23)33(24-9-4-2-5-10-24)25-11-6-3-7-12-25;1-28(25-17-19-32-27(25)30)20-26(29)31-18-16-21-12-14-24(15-13-21)33(22-8-4-2-5-9-22)23-10-6-3-7-11-23;1-3-31-26(29)20-28(2)21-27(30)32-19-18-22-14-16-25(17-15-22)33(23-10-6-4-7-11-23)24-12-8-5-9-13-24;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;1-20(29-25(28)19-27(2)18-17-26)21-13-15-24(16-14-21)30(22-9-5-3-6-10-22)23-11-7-4-8-12-23;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/h2-7,9-16,27H,8,17-22H2,1H3;2-15,25H,16-20H2,1H3;4-17H,3,18-21H2,1-2H3;1-14H,15-21H2;3-16,20H,18-19H2,1-2H3;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(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;[4-[1-[2-[cyanomethyl(methyl)amino]acetyl]oxyethyl]phenyl]-diphenylsulfanium;[4-[2-[2-[(2-ethoxy-2-oxoethyl)-methylamino]acetyl]oxyethyl]phenyl]-diphenylsulfanium;[4-[2-[2-[methyl-(2-oxooxolan-3-yl)amino]acetyl]oxyethyl]phenyl]-diphenylsulfanium;[4-[2-[3-[methyl-(2-oxooxolan-3-yl)amino]propoxy]ethyl]phenyl]-diphenylsulfanium;[4-[2-(2-morpholin-4-ylacetyl)oxyethyl]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(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;[4-[1-[2-[cyanomethyl(methyl)amino]acetyl]oxyethyl]phenyl]-diphenylsulfanium;[4-[2-[2-[(2-ethoxy-2-oxoethyl)-methylamino]acetyl]oxyethyl]phenyl]-diphenylsulfanium;[4-[2-[2-[methyl-(2-oxooxolan-3-yl)amino]acetyl]oxyethyl]phenyl]-diphenylsulfanium;[4-[2-[3-[methyl-(2-oxooxolan-3-yl)amino]propoxy]ethyl]phenyl]-diphenylsulfanium;[4-[2-(2-morpholin-4-ylacetyl)oxyethyl]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 3766.98 g/mol, XLogP of 27.89, 57 rotatable bonds, 0 hydrogen bond donors, and 43 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(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;[4-[1-[2-[cyanomethyl(methyl)amino]acetyl]oxyethyl]phenyl]-diphenylsulfanium;[4-[2-[2-[(2-ethoxy-2-oxoethyl)-methylamino]acetyl]oxyethyl]phenyl]-diphenylsulfanium;[4-[2-[2-[methyl-(2-oxooxolan-3-yl)amino]acetyl]oxyethyl]phenyl]-diphenylsulfanium;[4-[2-[3-[methyl-(2-oxooxolan-3-yl)amino]propoxy]ethyl]phenyl]-diphenylsulfanium;[4-[2-(2-morpholin-4-ylacetyl)oxyethyl]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 160952078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).