(4-aminophenyl)sulfonyl-octylsulfonylazanide;(4-butan-2-ylphenyl)-[4-(2-methylbutan-2-yl)phenyl]iodanium;[5-(dimethylamino)naphthalen-1-yl]sulfonyl-octylsulfonylazanide;2-(4-methylphenyl)-4H-imidazole;piperidine-4-carboxylate;pyrazine-2-carboxylate;pyridine-3-carboxylate;pyrimidine-5-carboxylic acid;N-(trifluoromethylsulfonyl)pyridine-3-carboximidate;heptakis(triphenylsulfanium)

C220H220F3IN14O19S12+2 — CID 159603923

About (4-aminophenyl)sulfonyl-octylsulfonylazanide;(4-butan-2-ylphenyl)-[4-(2-methylbutan-2-yl)phenyl]iodanium;[5-(dimethylamino)naphthalen-1-yl]sulfonyl-octylsulfonylazanide;2-(4-methylphenyl)-4H-imidazole;piperidine-4-carboxylate;pyrazine-2-carboxylate;pyridine-3-carboxylate;pyrimidine-5-carboxylic acid;N-(trifluoromethylsulfonyl)pyridine-3-carboximidate;heptakis(triphenylsulfanium)

(4-aminophenyl)sulfonyl-octylsulfonylazanide;(4-butan-2-ylphenyl)-[4-(2-methylbutan-2-yl)phenyl]iodanium;[5-(dimethylamino)naphthalen-1-yl]sulfonyl-octylsulfonylazanide;2-(4-methylphenyl)-4H-imidazole;piperidine-4-carboxylate;pyrazine-2-carboxylate;pyridine-3-carboxylate;pyrimidine-5-carboxylic acid;N-(trifluoromethylsulfonyl)pyridine-3-carboximidate;heptakis(triphenylsulfanium) (PubChem CID 159603923) has the molecular formula C220H220F3IN14O19S12+2 and a molecular weight of 3932.96 g/mol. Its IUPAC name is (4-aminophenyl)sulfonyl-octylsulfonylazanide;(4-butan-2-ylphenyl)-[4-(2-methylbutan-2-yl)phenyl]iodanium;[5-(dimethylamino)naphthalen-1-yl]sulfonyl-octylsulfonylazanide;2-(4-methylphenyl)-4H-imidazole;piperidine-4-carboxylate;pyrazine-2-carboxylate;pyridine-3-carboxylate;pyrimidine-5-carboxylic acid;N-(trifluoromethylsulfonyl)pyridine-3-carboximidate;heptakis(triphenylsulfanium).

Molecular Properties

• Compound Name: (4-aminophenyl)sulfonyl-octylsulfonylazanide;(4-butan-2-ylphenyl)-[4-(2-methylbutan-2-yl)phenyl]iodanium;[5-(dimethylamino)naphthalen-1-yl]sulfonyl-octylsulfonylazanide;2-(4-methylphenyl)-4H-imidazole;piperidine-4-carboxylate;pyrazine-2-carboxylate;pyridine-3-carboxylate;pyrimidine-5-carboxylic acid;N-(trifluoromethylsulfonyl)pyridine-3-carboximidate;heptakis(triphenylsulfanium)
• PubChem CID: 159603923
• Molecular Formula: C220H220F3IN14O19S12+2
• Molecular Weight: 3932.96 g/mol
• Exact Mass: 3929.23
• IUPAC Name: (4-aminophenyl)sulfonyl-octylsulfonylazanide;(4-butan-2-ylphenyl)-[4-(2-methylbutan-2-yl)phenyl]iodanium;[5-(dimethylamino)naphthalen-1-yl]sulfonyl-octylsulfonylazanide;2-(4-methylphenyl)-4H-imidazole;piperidine-4-carboxylate;pyrazine-2-carboxylate;pyridine-3-carboxylate;pyrimidine-5-carboxylic acid;N-(trifluoromethylsulfonyl)pyridine-3-carboximidate;heptakis(triphenylsulfanium)
• SMILES: CCC(C)c1ccc([I+]c2ccc(C(C)(C)CC)cc2)cc1.CCCCCCCCS(=O)(=O)[N-]S(=O)(=O)c1ccc(N)cc1.CCCCCCCCS(=O)(=O)[N-]S(=O)(=O)c1cccc2c(N(C)C)cccc12.Cc1ccc(C2=NCC=N2)cc1.O=C(O)c1cncnc1.O=C([O-])C1CCNCC1.O=C([O-])c1cccnc1.O=C([O-])c1cnccn1.O=S(=O)(N=C([O-])c1cccnc1)C(F)(F)F.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C21H28I.C20H29N2O4S2.7C18H15S.C14H23N2O4S2.C10H10N2.C7H5F3N2O3S.C6H11NO2.C6H5NO2.2C5H4N2O2/c1-6-16(3)17-8-12-19(13-9-17)22-20-14-10-18(11-15-20)21(4,5)7-2;1-4-5-6-7-8-9-16-27(23,24)21-28(25,26)20-15-11-12-17-18(20)13-10-14-19(17)22(2)3;7*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;1-8-2-4-9(5-3-8)10-11-6-7-12-10;8-7(9,10)16(14,15)12-6(13)5-2-1-3-11-4-5;8-6(9)5-1-3-7-4-2-5;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/h8-16H,6-7H2,1-5H3;10-15H,4-9,16H2,1-3H3;7*1-15H;8-11H,2-7,12,15H2,1H3;2-6H,7H2,1H3;1-4H,(H,12,13);5,7H,1-4H2,(H,8,9);1-4H,(H,8,9);2*1-3H,(H,8,9)/q+1;-1;7*+1;-1;;;;;;/p-4
• InChIKey: MLVHWUWUCVQJSJ-UHFFFAOYSA-J
• XLogP: 43.23
• TPSA: 535.36 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 29
• Rotatable Bonds: 55
• Heavy Atoms: 269
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3932.96
LogP ≤ 5	43.23
H-Bond Donors ≤ 5	3
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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)sulfonyl-octylsulfonylazanide;(4-butan-2-ylphenyl)-[4-(2-methylbutan-2-yl)phenyl]iodanium;[5-(dimethylamino)naphthalen-1-yl]sulfonyl-octylsulfonylazanide;2-(4-methylphenyl)-4H-imidazole;piperidine-4-carboxylate;pyrazine-2-carboxylate;pyridine-3-carboxylate;pyrimidine-5-carboxylic acid;N-(trifluoromethylsulfonyl)pyridine-3-carboximidate;heptakis(triphenylsulfanium)?

The IUPAC name of (4-aminophenyl)sulfonyl-octylsulfonylazanide;(4-butan-2-ylphenyl)-[4-(2-methylbutan-2-yl)phenyl]iodanium;[5-(dimethylamino)naphthalen-1-yl]sulfonyl-octylsulfonylazanide;2-(4-methylphenyl)-4H-imidazole;piperidine-4-carboxylate;pyrazine-2-carboxylate;pyridine-3-carboxylate;pyrimidine-5-carboxylic acid;N-(trifluoromethylsulfonyl)pyridine-3-carboximidate;heptakis(triphenylsulfanium) (CID 159603923) is (4-aminophenyl)sulfonyl-octylsulfonylazanide;(4-butan-2-ylphenyl)-[4-(2-methylbutan-2-yl)phenyl]iodanium;[5-(dimethylamino)naphthalen-1-yl]sulfonyl-octylsulfonylazanide;2-(4-methylphenyl)-4H-imidazole;piperidine-4-carboxylate;pyrazine-2-carboxylate;pyridine-3-carboxylate;pyrimidine-5-carboxylic acid;N-(trifluoromethylsulfonyl)pyridine-3-carboximidate;heptakis(triphenylsulfanium).

What is the SMILES notation for (4-aminophenyl)sulfonyl-octylsulfonylazanide;(4-butan-2-ylphenyl)-[4-(2-methylbutan-2-yl)phenyl]iodanium;[5-(dimethylamino)naphthalen-1-yl]sulfonyl-octylsulfonylazanide;2-(4-methylphenyl)-4H-imidazole;piperidine-4-carboxylate;pyrazine-2-carboxylate;pyridine-3-carboxylate;pyrimidine-5-carboxylic acid;N-(trifluoromethylsulfonyl)pyridine-3-carboximidate;heptakis(triphenylsulfanium)?

The canonical SMILES for (4-aminophenyl)sulfonyl-octylsulfonylazanide;(4-butan-2-ylphenyl)-[4-(2-methylbutan-2-yl)phenyl]iodanium;[5-(dimethylamino)naphthalen-1-yl]sulfonyl-octylsulfonylazanide;2-(4-methylphenyl)-4H-imidazole;piperidine-4-carboxylate;pyrazine-2-carboxylate;pyridine-3-carboxylate;pyrimidine-5-carboxylic acid;N-(trifluoromethylsulfonyl)pyridine-3-carboximidate;heptakis(triphenylsulfanium) is CCC(C)c1ccc([I+]c2ccc(C(C)(C)CC)cc2)cc1.CCCCCCCCS(=O)(=O)[N-]S(=O)(=O)c1ccc(N)cc1.CCCCCCCCS(=O)(=O)[N-]S(=O)(=O)c1cccc2c(N(C)C)cccc12.Cc1ccc(C2=NCC=N2)cc1.O=C(O)c1cncnc1.O=C([O-])C1CCNCC1.O=C([O-])c1cccnc1.O=C([O-])c1cnccn1.O=S(=O)(N=C([O-])c1cccnc1)C(F)(F)F.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.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;(4-butan-2-ylphenyl)-[4-(2-methylbutan-2-yl)phenyl]iodanium;[5-(dimethylamino)naphthalen-1-yl]sulfonyl-octylsulfonylazanide;2-(4-methylphenyl)-4H-imidazole;piperidine-4-carboxylate;pyrazine-2-carboxylate;pyridine-3-carboxylate;pyrimidine-5-carboxylic acid;N-(trifluoromethylsulfonyl)pyridine-3-carboximidate;heptakis(triphenylsulfanium)?

The InChIKey is MLVHWUWUCVQJSJ-UHFFFAOYSA-J. The full InChI is InChI=1S/C21H28I.C20H29N2O4S2.7C18H15S.C14H23N2O4S2.C10H10N2.C7H5F3N2O3S.C6H11NO2.C6H5NO2.2C5H4N2O2/c1-6-16(3)17-8-12-19(13-9-17)22-20-14-10-18(11-15-20)21(4,5)7-2;1-4-5-6-7-8-9-16-27(23,24)21-28(25,26)20-15-11-12-17-18(20)13-10-14-19(17)22(2)3;7*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;1-8-2-4-9(5-3-8)10-11-6-7-12-10;8-7(9,10)16(14,15)12-6(13)5-2-1-3-11-4-5;8-6(9)5-1-3-7-4-2-5;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/h8-16H,6-7H2,1-5H3;10-15H,4-9,16H2,1-3H3;7*1-15H;8-11H,2-7,12,15H2,1H3;2-6H,7H2,1H3;1-4H,(H,12,13);5,7H,1-4H2,(H,8,9);1-4H,(H,8,9);2*1-3H,(H,8,9)/q+1;-1;7*+1;-1;;;;;;/p-4.

What are the key properties of (4-aminophenyl)sulfonyl-octylsulfonylazanide;(4-butan-2-ylphenyl)-[4-(2-methylbutan-2-yl)phenyl]iodanium;[5-(dimethylamino)naphthalen-1-yl]sulfonyl-octylsulfonylazanide;2-(4-methylphenyl)-4H-imidazole;piperidine-4-carboxylate;pyrazine-2-carboxylate;pyridine-3-carboxylate;pyrimidine-5-carboxylic acid;N-(trifluoromethylsulfonyl)pyridine-3-carboximidate;heptakis(triphenylsulfanium)?

(4-aminophenyl)sulfonyl-octylsulfonylazanide;(4-butan-2-ylphenyl)-[4-(2-methylbutan-2-yl)phenyl]iodanium;[5-(dimethylamino)naphthalen-1-yl]sulfonyl-octylsulfonylazanide;2-(4-methylphenyl)-4H-imidazole;piperidine-4-carboxylate;pyrazine-2-carboxylate;pyridine-3-carboxylate;pyrimidine-5-carboxylic acid;N-(trifluoromethylsulfonyl)pyridine-3-carboximidate;heptakis(triphenylsulfanium) has a molecular weight of 3932.96 g/mol, XLogP of 43.23, 55 rotatable bonds, 3 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for (4-aminophenyl)sulfonyl-octylsulfonylazanide;(4-butan-2-ylphenyl)-[4-(2-methylbutan-2-yl)phenyl]iodanium;[5-(dimethylamino)naphthalen-1-yl]sulfonyl-octylsulfonylazanide;2-(4-methylphenyl)-4H-imidazole;piperidine-4-carboxylate;pyrazine-2-carboxylate;pyridine-3-carboxylate;pyrimidine-5-carboxylic acid;N-(trifluoromethylsulfonyl)pyridine-3-carboximidate;heptakis(triphenylsulfanium) is sourced from PubChem (CID 159603923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).