(4-aminophenyl)sulfonyl-octylsulfonylazanide;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;1,1,2,2,3,3-hexafluoro-3-piperazin-1-ylsulfonylpropane-1-sulfonic acid;bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);piperidine-4-carboxylate;pyrazine-2-carboxylate;bis(pyridine-3-carboxylate);pyrimidine-5-carboxylate;tetrakis(triphenylsulfanium)

C167H177F6IN11O21S10+ — CID 159612585

About (4-aminophenyl)sulfonyl-octylsulfonylazanide;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;1,1,2,2,3,3-hexafluoro-3-piperazin-1-ylsulfonylpropane-1-sulfonic acid;bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);piperidine-4-carboxylate;pyrazine-2-carboxylate;bis(pyridine-3-carboxylate);pyrimidine-5-carboxylate;tetrakis(triphenylsulfanium)

(4-aminophenyl)sulfonyl-octylsulfonylazanide;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;1,1,2,2,3,3-hexafluoro-3-piperazin-1-ylsulfonylpropane-1-sulfonic acid;bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);piperidine-4-carboxylate;pyrazine-2-carboxylate;bis(pyridine-3-carboxylate);pyrimidine-5-carboxylate;tetrakis(triphenylsulfanium) (PubChem CID 159612585) has the molecular formula C167H177F6IN11O21S10+ and a molecular weight of 3235.87 g/mol. Its IUPAC name is (4-aminophenyl)sulfonyl-octylsulfonylazanide;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;1,1,2,2,3,3-hexafluoro-3-piperazin-1-ylsulfonylpropane-1-sulfonic acid;bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);piperidine-4-carboxylate;pyrazine-2-carboxylate;bis(pyridine-3-carboxylate);pyrimidine-5-carboxylate;tetrakis(triphenylsulfanium).

Molecular Properties

• Compound Name: (4-aminophenyl)sulfonyl-octylsulfonylazanide;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;1,1,2,2,3,3-hexafluoro-3-piperazin-1-ylsulfonylpropane-1-sulfonic acid;bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);piperidine-4-carboxylate;pyrazine-2-carboxylate;bis(pyridine-3-carboxylate);pyrimidine-5-carboxylate;tetrakis(triphenylsulfanium)
• PubChem CID: 159612585
• Molecular Formula: C167H177F6IN11O21S10+
• Molecular Weight: 3235.87 g/mol
• Exact Mass: 3232.93
• IUPAC Name: (4-aminophenyl)sulfonyl-octylsulfonylazanide;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;1,1,2,2,3,3-hexafluoro-3-piperazin-1-ylsulfonylpropane-1-sulfonic acid;bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);piperidine-4-carboxylate;pyrazine-2-carboxylate;bis(pyridine-3-carboxylate);pyrimidine-5-carboxylate;tetrakis(triphenylsulfanium)
• SMILES: CCC(C)(C)c1ccc([I+]c2ccc(C(C)(C)CC)cc2)cc1.CCCCCCCCS(=O)(=O)[N-]S(=O)(=O)c1ccc(N)cc1.O=C(C[S+]1CCCC1)c1ccccc1.O=C(C[S+]1CCCC1)c1ccccc1.O=C([O-])C1CCNCC1.O=C([O-])c1cccnc1.O=C([O-])c1cccnc1.O=C([O-])c1cnccn1.O=C([O-])c1cncnc1.O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCNCC1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C22H30I.4C18H15S.C14H23N2O4S2.2C12H15OS.C7H10F6N2O5S2.C6H11NO2.2C6H5NO2.2C5H4N2O2/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;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-3-4-5-6-7-12-21(17,18)16-22(19,20)14-10-8-13(15)9-11-14;2*13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;8-5(9,7(12,13)22(18,19)20)6(10,11)21(16,17)15-3-1-14-2-4-15;8-6(9)5-1-3-7-4-2-5;2*8-6(9)5-2-1-3-7-4-5;8-5(9)4-1-6-3-7-2-4;8-5(9)4-3-6-1-2-7-4/h9-16H,7-8H2,1-6H3;4*1-15H;8-11H,2-7,12,15H2,1H3;2*1-3,6-7H,4-5,8-10H2;14H,1-4H2,(H,18,19,20);5,7H,1-4H2,(H,8,9);2*1-4H,(H,8,9);2*1-3H,(H,8,9)/q5*+1;-1;2*+1;;;;;;/p-5
• InChIKey: MMWQBJFUXHUFIJ-UHFFFAOYSA-I
• XLogP: 25.14
• TPSA: 536.34 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 29
• Rotatable Bonds: 44
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3235.87
LogP ≤ 5	25.14
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	29

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': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)sulfonyl-octylsulfonylazanide;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;1,1,2,2,3,3-hexafluoro-3-piperazin-1-ylsulfonylpropane-1-sulfonic acid;bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);piperidine-4-carboxylate;pyrazine-2-carboxylate;bis(pyridine-3-carboxylate);pyrimidine-5-carboxylate;tetrakis(triphenylsulfanium)?

The IUPAC name of (4-aminophenyl)sulfonyl-octylsulfonylazanide;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;1,1,2,2,3,3-hexafluoro-3-piperazin-1-ylsulfonylpropane-1-sulfonic acid;bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);piperidine-4-carboxylate;pyrazine-2-carboxylate;bis(pyridine-3-carboxylate);pyrimidine-5-carboxylate;tetrakis(triphenylsulfanium) (CID 159612585) is (4-aminophenyl)sulfonyl-octylsulfonylazanide;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;1,1,2,2,3,3-hexafluoro-3-piperazin-1-ylsulfonylpropane-1-sulfonic acid;bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);piperidine-4-carboxylate;pyrazine-2-carboxylate;bis(pyridine-3-carboxylate);pyrimidine-5-carboxylate;tetrakis(triphenylsulfanium).

What is the SMILES notation for (4-aminophenyl)sulfonyl-octylsulfonylazanide;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;1,1,2,2,3,3-hexafluoro-3-piperazin-1-ylsulfonylpropane-1-sulfonic acid;bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);piperidine-4-carboxylate;pyrazine-2-carboxylate;bis(pyridine-3-carboxylate);pyrimidine-5-carboxylate;tetrakis(triphenylsulfanium)?

The canonical SMILES for (4-aminophenyl)sulfonyl-octylsulfonylazanide;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;1,1,2,2,3,3-hexafluoro-3-piperazin-1-ylsulfonylpropane-1-sulfonic acid;bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);piperidine-4-carboxylate;pyrazine-2-carboxylate;bis(pyridine-3-carboxylate);pyrimidine-5-carboxylate;tetrakis(triphenylsulfanium) is CCC(C)(C)c1ccc([I+]c2ccc(C(C)(C)CC)cc2)cc1.CCCCCCCCS(=O)(=O)[N-]S(=O)(=O)c1ccc(N)cc1.O=C(C[S+]1CCCC1)c1ccccc1.O=C(C[S+]1CCCC1)c1ccccc1.O=C([O-])C1CCNCC1.O=C([O-])c1cccnc1.O=C([O-])c1cccnc1.O=C([O-])c1cnccn1.O=C([O-])c1cncnc1.O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCNCC1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of (4-aminophenyl)sulfonyl-octylsulfonylazanide;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;1,1,2,2,3,3-hexafluoro-3-piperazin-1-ylsulfonylpropane-1-sulfonic acid;bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);piperidine-4-carboxylate;pyrazine-2-carboxylate;bis(pyridine-3-carboxylate);pyrimidine-5-carboxylate;tetrakis(triphenylsulfanium)?

The InChIKey is MMWQBJFUXHUFIJ-UHFFFAOYSA-I. The full InChI is InChI=1S/C22H30I.4C18H15S.C14H23N2O4S2.2C12H15OS.C7H10F6N2O5S2.C6H11NO2.2C6H5NO2.2C5H4N2O2/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;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-3-4-5-6-7-12-21(17,18)16-22(19,20)14-10-8-13(15)9-11-14;2*13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;8-5(9,7(12,13)22(18,19)20)6(10,11)21(16,17)15-3-1-14-2-4-15;8-6(9)5-1-3-7-4-2-5;2*8-6(9)5-2-1-3-7-4-5;8-5(9)4-1-6-3-7-2-4;8-5(9)4-3-6-1-2-7-4/h9-16H,7-8H2,1-6H3;4*1-15H;8-11H,2-7,12,15H2,1H3;2*1-3,6-7H,4-5,8-10H2;14H,1-4H2,(H,18,19,20);5,7H,1-4H2,(H,8,9);2*1-4H,(H,8,9);2*1-3H,(H,8,9)/q5*+1;-1;2*+1;;;;;;/p-5.

What are the key properties of (4-aminophenyl)sulfonyl-octylsulfonylazanide;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;1,1,2,2,3,3-hexafluoro-3-piperazin-1-ylsulfonylpropane-1-sulfonic acid;bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);piperidine-4-carboxylate;pyrazine-2-carboxylate;bis(pyridine-3-carboxylate);pyrimidine-5-carboxylate;tetrakis(triphenylsulfanium)?

(4-aminophenyl)sulfonyl-octylsulfonylazanide;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;1,1,2,2,3,3-hexafluoro-3-piperazin-1-ylsulfonylpropane-1-sulfonic acid;bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);piperidine-4-carboxylate;pyrazine-2-carboxylate;bis(pyridine-3-carboxylate);pyrimidine-5-carboxylate;tetrakis(triphenylsulfanium) has a molecular weight of 3235.87 g/mol, XLogP of 25.14, 44 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for (4-aminophenyl)sulfonyl-octylsulfonylazanide;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;1,1,2,2,3,3-hexafluoro-3-piperazin-1-ylsulfonylpropane-1-sulfonic acid;bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);piperidine-4-carboxylate;pyrazine-2-carboxylate;bis(pyridine-3-carboxylate);pyrimidine-5-carboxylate;tetrakis(triphenylsulfanium) is sourced from PubChem (CID 159612585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).