bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;[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-[4-[methyl-(2-oxooxolan-3-yl)amino]butanoyloxymethyl]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

C122H123F24N7O33S13 — CID 161169520

About bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;[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-[4-[methyl-(2-oxooxolan-3-yl)amino]butanoyloxymethyl]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

bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;[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-[4-[methyl-(2-oxooxolan-3-yl)amino]butanoyloxymethyl]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 161169520) has the molecular formula C122H123F24N7O33S13 and a molecular weight of 3088.16 g/mol. Its IUPAC name is bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;[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-[4-[methyl-(2-oxooxolan-3-yl)amino]butanoyloxymethyl]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: bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;[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-[4-[methyl-(2-oxooxolan-3-yl)amino]butanoyloxymethyl]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: 161169520
• Molecular Formula: C122H123F24N7O33S13
• Molecular Weight: 3088.16 g/mol
• Exact Mass: 3085.41
• IUPAC Name: bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;[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-[4-[methyl-(2-oxooxolan-3-yl)amino]butanoyloxymethyl]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: CCOC(=O)CN(C)CC(=O)OCCc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CN(CC(=O)OCCc1ccc([S+](c2ccccc2)c2ccccc2)cc1)C1CCOC1=O.CN(CCCC(=O)OCc1ccc([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=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/C28H30NO4S.C27H28NO4S.C27H30NO4S.C26H28NO3S.C4F10NO4S2.C4H3F6O6S3.2C3H2F4NO4S2/c1-29(26-18-20-32-28(26)31)19-8-13-27(30)33-21-22-14-16-25(17-15-22)34(23-9-4-2-5-10-23)24-11-6-3-7-12-24;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;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/h2-7,9-12,14-17,26H,8,13,18-21H2,1H3;2-15,25H,16-20H2,1H3;4-17H,3,18-21H2,1-2H3;1-14H,15-21H2;;1H3;2*1H2/q4*+1;4*-1
• InChIKey: UQZMCQOENXZWFG-UHFFFAOYSA-N
• XLogP: 20.73
• TPSA: 555.85 Ų
• H-Bond Acceptors: 37
• Rotatable Bonds: 45
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3088.16
LogP ≤ 5	20.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;[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-[4-[methyl-(2-oxooxolan-3-yl)amino]butanoyloxymethyl]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 bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;[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-[4-[methyl-(2-oxooxolan-3-yl)amino]butanoyloxymethyl]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 161169520) is bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;[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-[4-[methyl-(2-oxooxolan-3-yl)amino]butanoyloxymethyl]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 bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;[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-[4-[methyl-(2-oxooxolan-3-yl)amino]butanoyloxymethyl]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 bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;[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-[4-[methyl-(2-oxooxolan-3-yl)amino]butanoyloxymethyl]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 CCOC(=O)CN(C)CC(=O)OCCc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CN(CC(=O)OCCc1ccc([S+](c2ccccc2)c2ccccc2)cc1)C1CCOC1=O.CN(CCCC(=O)OCc1ccc([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=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 bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;[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-[4-[methyl-(2-oxooxolan-3-yl)amino]butanoyloxymethyl]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 UQZMCQOENXZWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30NO4S.C27H28NO4S.C27H30NO4S.C26H28NO3S.C4F10NO4S2.C4H3F6O6S3.2C3H2F4NO4S2/c1-29(26-18-20-32-28(26)31)19-8-13-27(30)33-21-22-14-16-25(17-15-22)34(23-9-4-2-5-10-23)24-11-6-3-7-12-24;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;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/h2-7,9-12,14-17,26H,8,13,18-21H2,1H3;2-15,25H,16-20H2,1H3;4-17H,3,18-21H2,1-2H3;1-14H,15-21H2;;1H3;2*1H2/q4*+1;4*-1.

What are the key properties of bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;[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-[4-[methyl-(2-oxooxolan-3-yl)amino]butanoyloxymethyl]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?

bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;[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-[4-[methyl-(2-oxooxolan-3-yl)amino]butanoyloxymethyl]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 3088.16 g/mol, XLogP of 20.73, 45 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;[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-[4-[methyl-(2-oxooxolan-3-yl)amino]butanoyloxymethyl]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 161169520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).