bis(4-amino-N-octylsulfonylbenzenesulfonamide);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-methyl-3-(thiolan-1-ium-1-yl)indole;N-(trifluoromethylsulfonyl)pyridine-3-carboxamide;triphenylsulfanium

C103H137F12N10O19S12+3 — CID 158533701

About bis(4-amino-N-octylsulfonylbenzenesulfonamide);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-methyl-3-(thiolan-1-ium-1-yl)indole;N-(trifluoromethylsulfonyl)pyridine-3-carboxamide;triphenylsulfanium

bis(4-amino-N-octylsulfonylbenzenesulfonamide);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-methyl-3-(thiolan-1-ium-1-yl)indole;N-(trifluoromethylsulfonyl)pyridine-3-carboxamide;triphenylsulfanium (PubChem CID 158533701) has the molecular formula C103H137F12N10O19S12+3 and a molecular weight of 2432.06 g/mol. Its IUPAC name is bis(4-amino-N-octylsulfonylbenzenesulfonamide);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-methyl-3-(thiolan-1-ium-1-yl)indole;N-(trifluoromethylsulfonyl)pyridine-3-carboxamide;triphenylsulfanium.

Molecular Properties

• Compound Name: bis(4-amino-N-octylsulfonylbenzenesulfonamide);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-methyl-3-(thiolan-1-ium-1-yl)indole;N-(trifluoromethylsulfonyl)pyridine-3-carboxamide;triphenylsulfanium
• PubChem CID: 158533701
• Molecular Formula: C103H137F12N10O19S12+3
• Molecular Weight: 2432.06 g/mol
• Exact Mass: 2429.65
• IUPAC Name: bis(4-amino-N-octylsulfonylbenzenesulfonamide);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-methyl-3-(thiolan-1-ium-1-yl)indole;N-(trifluoromethylsulfonyl)pyridine-3-carboxamide;triphenylsulfanium
• SMILES: CC(C)(C)C(=O)C[S+]1CCCC1.CCCCCCCCS(=O)(=O)NS(=O)(=O)c1ccc(N)cc1.CCCCCCCCS(=O)(=O)NS(=O)(=O)c1ccc(N)cc1.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.CN1CCN(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)CC1.Cn1cc([S+]2CCCC2)c2ccccc21.O=C(NS(=O)(=O)C(F)(F)F)c1cccnc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C18H23OS.C18H15S.2C14H24N2O4S2.C13H16NS.C10H19OS.C9H11F9N3O6S3.C7H5F3N2O3S/c1-2-3-12-19-17-10-11-18(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;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;1-10(2,3)9(11)8-12-6-4-5-7-12;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/h4-5,8-11H,2-3,6-7,12-14H2,1H3;1-15H;2*8-11,16H,2-7,12,15H2,1H3;2-3,6-7,10H,4-5,8-9H2,1H3;4-8H2,1-3H3;2-5H2,1H3;1-4H,(H,12,13)/q2*+1;;;2*+1;-1
• InChIKey: HNRMDKAIRPHMCI-UHFFFAOYSA-N
• XLogP: 20.61
• TPSA: 443.02 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 40
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2432.06
LogP ≤ 5	20.61
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

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;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-methyl-3-(thiolan-1-ium-1-yl)indole;N-(trifluoromethylsulfonyl)pyridine-3-carboxamide;triphenylsulfanium?

The IUPAC name of bis(4-amino-N-octylsulfonylbenzenesulfonamide);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-methyl-3-(thiolan-1-ium-1-yl)indole;N-(trifluoromethylsulfonyl)pyridine-3-carboxamide;triphenylsulfanium (CID 158533701) is bis(4-amino-N-octylsulfonylbenzenesulfonamide);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-methyl-3-(thiolan-1-ium-1-yl)indole;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;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-methyl-3-(thiolan-1-ium-1-yl)indole;N-(trifluoromethylsulfonyl)pyridine-3-carboxamide;triphenylsulfanium?

The canonical SMILES for bis(4-amino-N-octylsulfonylbenzenesulfonamide);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-methyl-3-(thiolan-1-ium-1-yl)indole;N-(trifluoromethylsulfonyl)pyridine-3-carboxamide;triphenylsulfanium is CC(C)(C)C(=O)C[S+]1CCCC1.CCCCCCCCS(=O)(=O)NS(=O)(=O)c1ccc(N)cc1.CCCCCCCCS(=O)(=O)NS(=O)(=O)c1ccc(N)cc1.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.CN1CCN(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)CC1.Cn1cc([S+]2CCCC2)c2ccccc21.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;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-methyl-3-(thiolan-1-ium-1-yl)indole;N-(trifluoromethylsulfonyl)pyridine-3-carboxamide;triphenylsulfanium?

The InChIKey is HNRMDKAIRPHMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23OS.C18H15S.2C14H24N2O4S2.C13H16NS.C10H19OS.C9H11F9N3O6S3.C7H5F3N2O3S/c1-2-3-12-19-17-10-11-18(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;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;1-10(2,3)9(11)8-12-6-4-5-7-12;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/h4-5,8-11H,2-3,6-7,12-14H2,1H3;1-15H;2*8-11,16H,2-7,12,15H2,1H3;2-3,6-7,10H,4-5,8-9H2,1H3;4-8H2,1-3H3;2-5H2,1H3;1-4H,(H,12,13)/q2*+1;;;2*+1;-1;.

What are the key properties of bis(4-amino-N-octylsulfonylbenzenesulfonamide);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-methyl-3-(thiolan-1-ium-1-yl)indole;N-(trifluoromethylsulfonyl)pyridine-3-carboxamide;triphenylsulfanium?

bis(4-amino-N-octylsulfonylbenzenesulfonamide);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-methyl-3-(thiolan-1-ium-1-yl)indole;N-(trifluoromethylsulfonyl)pyridine-3-carboxamide;triphenylsulfanium has a molecular weight of 2432.06 g/mol, XLogP of 20.61, 40 rotatable bonds, 5 hydrogen bond donors, and 24 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;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-methyl-3-(thiolan-1-ium-1-yl)indole;N-(trifluoromethylsulfonyl)pyridine-3-carboxamide;triphenylsulfanium is sourced from PubChem (CID 158533701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).