bis(4-amino-N-octylsulfonylbenzenesulfonamide);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;dibutyl(phenacyl)sulfanium;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanamide;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;ethane;bis(1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide);1-methyl-3-(thiolan-1-ium-1-yl)indole;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;N-(trifluoromethylsulfonyl)pyridine-3-carboxamide;triphenylsulfanium

C160H226F21N15O30S18+6 — CID 159660400

About bis(4-amino-N-octylsulfonylbenzenesulfonamide);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;dibutyl(phenacyl)sulfanium;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanamide;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;ethane;bis(1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide);1-methyl-3-(thiolan-1-ium-1-yl)indole;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;N-(trifluoromethylsulfonyl)pyridine-3-carboxamide;triphenylsulfanium

bis(4-amino-N-octylsulfonylbenzenesulfonamide);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;dibutyl(phenacyl)sulfanium;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanamide;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;ethane;bis(1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide);1-methyl-3-(thiolan-1-ium-1-yl)indole;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;N-(trifluoromethylsulfonyl)pyridine-3-carboxamide;triphenylsulfanium (PubChem CID 159660400) has the molecular formula C160H226F21N15O30S18+6 and a molecular weight of 3815.81 g/mol. Its IUPAC name is bis(4-amino-N-octylsulfonylbenzenesulfonamide);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;dibutyl(phenacyl)sulfanium;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanamide;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;ethane;bis(1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide);1-methyl-3-(thiolan-1-ium-1-yl)indole;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;N-(trifluoromethylsulfonyl)pyridine-3-carboxamide;triphenylsulfanium.

Molecular Properties

• Compound Name: bis(4-amino-N-octylsulfonylbenzenesulfonamide);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;dibutyl(phenacyl)sulfanium;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanamide;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;ethane;bis(1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide);1-methyl-3-(thiolan-1-ium-1-yl)indole;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;N-(trifluoromethylsulfonyl)pyridine-3-carboxamide;triphenylsulfanium
• PubChem CID: 159660400
• Molecular Formula: C160H226F21N15O30S18+6
• Molecular Weight: 3815.81 g/mol
• Exact Mass: 3812.12
• IUPAC Name: bis(4-amino-N-octylsulfonylbenzenesulfonamide);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;dibutyl(phenacyl)sulfanium;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanamide;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;ethane;bis(1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide);1-methyl-3-(thiolan-1-ium-1-yl)indole;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;N-(trifluoromethylsulfonyl)pyridine-3-carboxamide;triphenylsulfanium
• SMILES: CC.CC(C)(C)C(=O)C[S+]1CCCC1.CCCCCCCCC(=O)NS(=O)(=O)c1ccc(CN(C)C)cc1.CCCCCCCCS(=O)(=O)NS(=O)(=O)c1ccc(N)cc1.CCCCCCCCS(=O)(=O)NS(=O)(=O)c1ccc(N)cc1.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.CCCC[S+](CCCC)CC(=O)c1ccccc1.CN1CCN(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)NS(=O)(=O)C(F)(F)F)CC1.CN1CCN(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)NS(=O)(=O)C(F)(F)F)CC1.Cn1cc([S+]2CCCC2)c2ccccc21.O=C(C[S+]1CCCC1)c1ccccc1.O=C(NS(=O)(=O)C(F)(F)F)c1cccnc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C18H30N2O3S.C18H23OS.C18H15S.C16H25OS.2C14H24N2O4S2.C13H16NS.C12H15OS.C10H19OS.2C9H12F9N3O6S3.C7H5F3N2O3S.C2H6/c1-4-5-6-7-8-9-10-18(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;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-5-12-18(13-6-4-2)14-16(17)15-10-8-7-9-11-15;2*1-2-3-4-5-6-7-12-21(17,18)16-22(19,20)14-10-8-13(15)9-11-14;1-14-10-13(15-8-4-5-9-15)11-6-2-3-7-12(11)14;13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;1-10(2,3)9(11)8-12-6-4-5-7-12;2*1-20-2-4-21(5-3-20)30(26,27)8(14,15)6(10,11)7(12,13)28(22,23)19-29(24,25)9(16,17)18;8-7(9,10)16(14,15)12-6(13)5-2-1-3-11-4-5;1-2/h11-14H,4-10,15H2,1-3H3,(H,19,21);4-5,8-11H,2-3,6-7,12-14H2,1H3;1-15H;7-11H,3-6,12-14H2,1-2H3;2*8-11,16H,2-7,12,15H2,1H3;2-3,6-7,10H,4-5,8-9H2,1H3;1-3,6-7H,4-5,8-10H2;4-8H2,1-3H3;2*19H,2-5H2,1H3;1-4H,(H,12,13);1-2H3/q;3*+1;;;3*+1
• InChIKey: MSSMZMCDLQUDDF-UHFFFAOYSA-N
• XLogP: 30.68
• TPSA: 662.50 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 37
• Rotatable Bonds: 70
• Heavy Atoms: 244
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3815.81
LogP ≤ 5	30.68
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	37

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': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(4-amino-N-octylsulfonylbenzenesulfonamide);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;dibutyl(phenacyl)sulfanium;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanamide;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;ethane;bis(1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide);1-methyl-3-(thiolan-1-ium-1-yl)indole;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;N-(trifluoromethylsulfonyl)pyridine-3-carboxamide;triphenylsulfanium?

The IUPAC name of bis(4-amino-N-octylsulfonylbenzenesulfonamide);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;dibutyl(phenacyl)sulfanium;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanamide;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;ethane;bis(1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide);1-methyl-3-(thiolan-1-ium-1-yl)indole;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;N-(trifluoromethylsulfonyl)pyridine-3-carboxamide;triphenylsulfanium (CID 159660400) is bis(4-amino-N-octylsulfonylbenzenesulfonamide);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;dibutyl(phenacyl)sulfanium;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanamide;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;ethane;bis(1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide);1-methyl-3-(thiolan-1-ium-1-yl)indole;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;N-(trifluoromethylsulfonyl)pyridine-3-carboxamide;triphenylsulfanium.

What is the SMILES notation for bis(4-amino-N-octylsulfonylbenzenesulfonamide);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;dibutyl(phenacyl)sulfanium;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanamide;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;ethane;bis(1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide);1-methyl-3-(thiolan-1-ium-1-yl)indole;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;N-(trifluoromethylsulfonyl)pyridine-3-carboxamide;triphenylsulfanium?

The canonical SMILES for bis(4-amino-N-octylsulfonylbenzenesulfonamide);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;dibutyl(phenacyl)sulfanium;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanamide;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;ethane;bis(1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide);1-methyl-3-(thiolan-1-ium-1-yl)indole;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;N-(trifluoromethylsulfonyl)pyridine-3-carboxamide;triphenylsulfanium is CC.CC(C)(C)C(=O)C[S+]1CCCC1.CCCCCCCCC(=O)NS(=O)(=O)c1ccc(CN(C)C)cc1.CCCCCCCCS(=O)(=O)NS(=O)(=O)c1ccc(N)cc1.CCCCCCCCS(=O)(=O)NS(=O)(=O)c1ccc(N)cc1.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.CCCC[S+](CCCC)CC(=O)c1ccccc1.CN1CCN(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)NS(=O)(=O)C(F)(F)F)CC1.CN1CCN(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)NS(=O)(=O)C(F)(F)F)CC1.Cn1cc([S+]2CCCC2)c2ccccc21.O=C(C[S+]1CCCC1)c1ccccc1.O=C(NS(=O)(=O)C(F)(F)F)c1cccnc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of bis(4-amino-N-octylsulfonylbenzenesulfonamide);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;dibutyl(phenacyl)sulfanium;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanamide;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;ethane;bis(1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide);1-methyl-3-(thiolan-1-ium-1-yl)indole;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;N-(trifluoromethylsulfonyl)pyridine-3-carboxamide;triphenylsulfanium?

The InChIKey is MSSMZMCDLQUDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3S.C18H23OS.C18H15S.C16H25OS.2C14H24N2O4S2.C13H16NS.C12H15OS.C10H19OS.2C9H12F9N3O6S3.C7H5F3N2O3S.C2H6/c1-4-5-6-7-8-9-10-18(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;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-5-12-18(13-6-4-2)14-16(17)15-10-8-7-9-11-15;2*1-2-3-4-5-6-7-12-21(17,18)16-22(19,20)14-10-8-13(15)9-11-14;1-14-10-13(15-8-4-5-9-15)11-6-2-3-7-12(11)14;13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;1-10(2,3)9(11)8-12-6-4-5-7-12;2*1-20-2-4-21(5-3-20)30(26,27)8(14,15)6(10,11)7(12,13)28(22,23)19-29(24,25)9(16,17)18;8-7(9,10)16(14,15)12-6(13)5-2-1-3-11-4-5;1-2/h11-14H,4-10,15H2,1-3H3,(H,19,21);4-5,8-11H,2-3,6-7,12-14H2,1H3;1-15H;7-11H,3-6,12-14H2,1-2H3;2*8-11,16H,2-7,12,15H2,1H3;2-3,6-7,10H,4-5,8-9H2,1H3;1-3,6-7H,4-5,8-10H2;4-8H2,1-3H3;2*19H,2-5H2,1H3;1-4H,(H,12,13);1-2H3/q;3*+1;;;3*+1;;;;.

What are the key properties of bis(4-amino-N-octylsulfonylbenzenesulfonamide);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;dibutyl(phenacyl)sulfanium;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanamide;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;ethane;bis(1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide);1-methyl-3-(thiolan-1-ium-1-yl)indole;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;N-(trifluoromethylsulfonyl)pyridine-3-carboxamide;triphenylsulfanium?

bis(4-amino-N-octylsulfonylbenzenesulfonamide);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;dibutyl(phenacyl)sulfanium;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanamide;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;ethane;bis(1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide);1-methyl-3-(thiolan-1-ium-1-yl)indole;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;N-(trifluoromethylsulfonyl)pyridine-3-carboxamide;triphenylsulfanium has a molecular weight of 3815.81 g/mol, XLogP of 30.68, 70 rotatable bonds, 8 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for bis(4-amino-N-octylsulfonylbenzenesulfonamide);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;dibutyl(phenacyl)sulfanium;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanamide;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;ethane;bis(1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide);1-methyl-3-(thiolan-1-ium-1-yl)indole;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;N-(trifluoromethylsulfonyl)pyridine-3-carboxamide;triphenylsulfanium is sourced from PubChem (CID 159660400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).