[3-[4-amino-3,5-di(propan-2-yl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;N-(4-aminophenyl)sulfonylethanimidate;(4-aminophenyl)sulfonyl-octylsulfonylazanide;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanimidate;tetrakis(1-methyl-3-(thiolan-1-ium-1-yl)indole);N-(4-pyrrolidin-1-ylphenyl)sulfonylnonanimidate;N-(trifluoromethylsulfonyl)pyridine-3-carboximidate

C174H229F12IN16O24S14 — CID 157194417

About [3-[4-amino-3,5-di(propan-2-yl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;N-(4-aminophenyl)sulfonylethanimidate;(4-aminophenyl)sulfonyl-octylsulfonylazanide;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanimidate;tetrakis(1-methyl-3-(thiolan-1-ium-1-yl)indole);N-(4-pyrrolidin-1-ylphenyl)sulfonylnonanimidate;N-(trifluoromethylsulfonyl)pyridine-3-carboximidate

[3-[4-amino-3,5-di(propan-2-yl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;N-(4-aminophenyl)sulfonylethanimidate;(4-aminophenyl)sulfonyl-octylsulfonylazanide;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanimidate;tetrakis(1-methyl-3-(thiolan-1-ium-1-yl)indole);N-(4-pyrrolidin-1-ylphenyl)sulfonylnonanimidate;N-(trifluoromethylsulfonyl)pyridine-3-carboximidate (PubChem CID 157194417) has the molecular formula C174H229F12IN16O24S14 and a molecular weight of 3732.65 g/mol. Its IUPAC name is [3-[4-amino-3,5-di(propan-2-yl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;N-(4-aminophenyl)sulfonylethanimidate;(4-aminophenyl)sulfonyl-octylsulfonylazanide;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanimidate;tetrakis(1-methyl-3-(thiolan-1-ium-1-yl)indole);N-(4-pyrrolidin-1-ylphenyl)sulfonylnonanimidate;N-(trifluoromethylsulfonyl)pyridine-3-carboximidate.

Molecular Properties

• Compound Name: [3-[4-amino-3,5-di(propan-2-yl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;N-(4-aminophenyl)sulfonylethanimidate;(4-aminophenyl)sulfonyl-octylsulfonylazanide;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanimidate;tetrakis(1-methyl-3-(thiolan-1-ium-1-yl)indole);N-(4-pyrrolidin-1-ylphenyl)sulfonylnonanimidate;N-(trifluoromethylsulfonyl)pyridine-3-carboximidate
• PubChem CID: 157194417
• Molecular Formula: C174H229F12IN16O24S14
• Molecular Weight: 3732.65 g/mol
• Exact Mass: 3729.21
• IUPAC Name: [3-[4-amino-3,5-di(propan-2-yl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;N-(4-aminophenyl)sulfonylethanimidate;(4-aminophenyl)sulfonyl-octylsulfonylazanide;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanimidate;tetrakis(1-methyl-3-(thiolan-1-ium-1-yl)indole);N-(4-pyrrolidin-1-ylphenyl)sulfonylnonanimidate;N-(trifluoromethylsulfonyl)pyridine-3-carboximidate
• SMILES: CC(C)c1cc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)cc(C(C)C)c1N.CC([O-])=NS(=O)(=O)c1ccc(N)cc1.CCC(C)(C)c1ccc([I+]c2ccc(C(C)(C)CC)cc2)cc1.CCCCCCCCC([O-])=NS(=O)(=O)c1ccc(CN(C)C)cc1.CCCCCCCCC([O-])=NS(=O)(=O)c1ccc(N2CCCC2)cc1.CCCCCCCCS(=O)(=O)[N-]S(=O)(=O)c1ccc(N)cc1.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.Cn1cc([S+]2CCCC2)c2ccccc21.Cn1cc([S+]2CCCC2)c2ccccc21.Cn1cc([S+]2CCCC2)c2ccccc21.Cn1cc([S+]2CCCC2)c2ccccc21.O=S(=O)(N=C([O-])c1cccnc1)C(F)(F)F
• InChI: InChI=1S/C22H30I.C19H30N2O3S.C18H30N2O3S.C18H23OS.C16H18F9N2O7S3.C14H23N2O4S2.4C13H16NS.C8H10N2O3S.C7H5F3N2O3S/c1-7-21(3,4)17-9-13-19(14-10-17)23-20-15-11-18(12-16-20)22(5,6)8-2;1-2-3-4-5-6-7-10-19(22)20-25(23,24)18-13-11-17(12-14-18)21-15-8-9-16-21;1-4-5-6-7-8-9-10-18(21)19-24(22,23)17-13-11-16(12-14-17)15-20(2)3;1-2-3-12-19-17-10-11-18(20-13-6-7-14-20)16-9-5-4-8-15(16)17;1-7(2)10-5-9(6-11(8(3)4)12(10)26)34-37(32,33)15(21,22)13(17,18)14(19,20)35(28,29)27-36(30,31)16(23,24)25;1-2-3-4-5-6-7-12-21(17,18)16-22(19,20)14-10-8-13(15)9-11-14;4*1-14-10-13(15-8-4-5-9-15)11-6-2-3-7-12(11)14;1-6(11)10-14(12,13)8-4-2-7(9)3-5-8;8-7(9,10)16(14,15)12-6(13)5-2-1-3-11-4-5/h9-16H,7-8H2,1-6H3;11-14H,2-10,15-16H2,1H3,(H,20,22);11-14H,4-10,15H2,1-3H3,(H,19,21);4-5,8-11H,2-3,6-7,12-14H2,1H3;5-8H,26H2,1-4H3;8-11H,2-7,12,15H2,1H3;4*2-3,6-7,10H,4-5,8-9H2,1H3;2-5H,9H2,1H3,(H,10,11);1-4H,(H,12,13)/q+1;;;+1;2*-1;4*+1;;/p-4
• InChIKey: AQBQHUXRYYTHIH-UHFFFAOYSA-J
• XLogP: 33.60
• TPSA: 612.75 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 34
• Rotatable Bonds: 60
• Heavy Atoms: 241
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3732.65
LogP ≤ 5	33.60
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-[4-amino-3,5-di(propan-2-yl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;N-(4-aminophenyl)sulfonylethanimidate;(4-aminophenyl)sulfonyl-octylsulfonylazanide;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanimidate;tetrakis(1-methyl-3-(thiolan-1-ium-1-yl)indole);N-(4-pyrrolidin-1-ylphenyl)sulfonylnonanimidate;N-(trifluoromethylsulfonyl)pyridine-3-carboximidate?

The IUPAC name of [3-[4-amino-3,5-di(propan-2-yl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;N-(4-aminophenyl)sulfonylethanimidate;(4-aminophenyl)sulfonyl-octylsulfonylazanide;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanimidate;tetrakis(1-methyl-3-(thiolan-1-ium-1-yl)indole);N-(4-pyrrolidin-1-ylphenyl)sulfonylnonanimidate;N-(trifluoromethylsulfonyl)pyridine-3-carboximidate (CID 157194417) is [3-[4-amino-3,5-di(propan-2-yl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;N-(4-aminophenyl)sulfonylethanimidate;(4-aminophenyl)sulfonyl-octylsulfonylazanide;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanimidate;tetrakis(1-methyl-3-(thiolan-1-ium-1-yl)indole);N-(4-pyrrolidin-1-ylphenyl)sulfonylnonanimidate;N-(trifluoromethylsulfonyl)pyridine-3-carboximidate.

What is the SMILES notation for [3-[4-amino-3,5-di(propan-2-yl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;N-(4-aminophenyl)sulfonylethanimidate;(4-aminophenyl)sulfonyl-octylsulfonylazanide;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanimidate;tetrakis(1-methyl-3-(thiolan-1-ium-1-yl)indole);N-(4-pyrrolidin-1-ylphenyl)sulfonylnonanimidate;N-(trifluoromethylsulfonyl)pyridine-3-carboximidate?

The canonical SMILES for [3-[4-amino-3,5-di(propan-2-yl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;N-(4-aminophenyl)sulfonylethanimidate;(4-aminophenyl)sulfonyl-octylsulfonylazanide;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanimidate;tetrakis(1-methyl-3-(thiolan-1-ium-1-yl)indole);N-(4-pyrrolidin-1-ylphenyl)sulfonylnonanimidate;N-(trifluoromethylsulfonyl)pyridine-3-carboximidate is CC(C)c1cc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)cc(C(C)C)c1N.CC([O-])=NS(=O)(=O)c1ccc(N)cc1.CCC(C)(C)c1ccc([I+]c2ccc(C(C)(C)CC)cc2)cc1.CCCCCCCCC([O-])=NS(=O)(=O)c1ccc(CN(C)C)cc1.CCCCCCCCC([O-])=NS(=O)(=O)c1ccc(N2CCCC2)cc1.CCCCCCCCS(=O)(=O)[N-]S(=O)(=O)c1ccc(N)cc1.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.Cn1cc([S+]2CCCC2)c2ccccc21.Cn1cc([S+]2CCCC2)c2ccccc21.Cn1cc([S+]2CCCC2)c2ccccc21.Cn1cc([S+]2CCCC2)c2ccccc21.O=S(=O)(N=C([O-])c1cccnc1)C(F)(F)F.

What is the InChIKey of [3-[4-amino-3,5-di(propan-2-yl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;N-(4-aminophenyl)sulfonylethanimidate;(4-aminophenyl)sulfonyl-octylsulfonylazanide;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanimidate;tetrakis(1-methyl-3-(thiolan-1-ium-1-yl)indole);N-(4-pyrrolidin-1-ylphenyl)sulfonylnonanimidate;N-(trifluoromethylsulfonyl)pyridine-3-carboximidate?

The InChIKey is AQBQHUXRYYTHIH-UHFFFAOYSA-J. The full InChI is InChI=1S/C22H30I.C19H30N2O3S.C18H30N2O3S.C18H23OS.C16H18F9N2O7S3.C14H23N2O4S2.4C13H16NS.C8H10N2O3S.C7H5F3N2O3S/c1-7-21(3,4)17-9-13-19(14-10-17)23-20-15-11-18(12-16-20)22(5,6)8-2;1-2-3-4-5-6-7-10-19(22)20-25(23,24)18-13-11-17(12-14-18)21-15-8-9-16-21;1-4-5-6-7-8-9-10-18(21)19-24(22,23)17-13-11-16(12-14-17)15-20(2)3;1-2-3-12-19-17-10-11-18(20-13-6-7-14-20)16-9-5-4-8-15(16)17;1-7(2)10-5-9(6-11(8(3)4)12(10)26)34-37(32,33)15(21,22)13(17,18)14(19,20)35(28,29)27-36(30,31)16(23,24)25;1-2-3-4-5-6-7-12-21(17,18)16-22(19,20)14-10-8-13(15)9-11-14;4*1-14-10-13(15-8-4-5-9-15)11-6-2-3-7-12(11)14;1-6(11)10-14(12,13)8-4-2-7(9)3-5-8;8-7(9,10)16(14,15)12-6(13)5-2-1-3-11-4-5/h9-16H,7-8H2,1-6H3;11-14H,2-10,15-16H2,1H3,(H,20,22);11-14H,4-10,15H2,1-3H3,(H,19,21);4-5,8-11H,2-3,6-7,12-14H2,1H3;5-8H,26H2,1-4H3;8-11H,2-7,12,15H2,1H3;4*2-3,6-7,10H,4-5,8-9H2,1H3;2-5H,9H2,1H3,(H,10,11);1-4H,(H,12,13)/q+1;;;+1;2*-1;4*+1;;/p-4.

What are the key properties of [3-[4-amino-3,5-di(propan-2-yl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;N-(4-aminophenyl)sulfonylethanimidate;(4-aminophenyl)sulfonyl-octylsulfonylazanide;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanimidate;tetrakis(1-methyl-3-(thiolan-1-ium-1-yl)indole);N-(4-pyrrolidin-1-ylphenyl)sulfonylnonanimidate;N-(trifluoromethylsulfonyl)pyridine-3-carboximidate?

[3-[4-amino-3,5-di(propan-2-yl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;N-(4-aminophenyl)sulfonylethanimidate;(4-aminophenyl)sulfonyl-octylsulfonylazanide;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanimidate;tetrakis(1-methyl-3-(thiolan-1-ium-1-yl)indole);N-(4-pyrrolidin-1-ylphenyl)sulfonylnonanimidate;N-(trifluoromethylsulfonyl)pyridine-3-carboximidate has a molecular weight of 3732.65 g/mol, XLogP of 33.60, 60 rotatable bonds, 3 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[4-amino-3,5-di(propan-2-yl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;N-(4-aminophenyl)sulfonylethanimidate;(4-aminophenyl)sulfonyl-octylsulfonylazanide;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanimidate;tetrakis(1-methyl-3-(thiolan-1-ium-1-yl)indole);N-(4-pyrrolidin-1-ylphenyl)sulfonylnonanimidate;N-(trifluoromethylsulfonyl)pyridine-3-carboximidate is sourced from PubChem (CID 157194417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).