(8-aminonaphthalen-1-yl)sulfonyl-octylsulfonylazanide;(4-aminophenyl)sulfonyl-octylsulfonylazanide;(4-butoxyphenyl)-diphenylsulfanium;4-(dimethylamino)butylsulfonyl-octylsulfonylazanide;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanimidate;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;tris(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone)

C131H187F9N11O25S14- — CID 159594345

About (8-aminonaphthalen-1-yl)sulfonyl-octylsulfonylazanide;(4-aminophenyl)sulfonyl-octylsulfonylazanide;(4-butoxyphenyl)-diphenylsulfanium;4-(dimethylamino)butylsulfonyl-octylsulfonylazanide;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanimidate;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;tris(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone)

(8-aminonaphthalen-1-yl)sulfonyl-octylsulfonylazanide;(4-aminophenyl)sulfonyl-octylsulfonylazanide;(4-butoxyphenyl)-diphenylsulfanium;4-(dimethylamino)butylsulfonyl-octylsulfonylazanide;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanimidate;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;tris(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone) (PubChem CID 159594345) has the molecular formula C131H187F9N11O25S14- and a molecular weight of 2935.91 g/mol. Its IUPAC name is (8-aminonaphthalen-1-yl)sulfonyl-octylsulfonylazanide;(4-aminophenyl)sulfonyl-octylsulfonylazanide;(4-butoxyphenyl)-diphenylsulfanium;4-(dimethylamino)butylsulfonyl-octylsulfonylazanide;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanimidate;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;tris(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone).

Molecular Properties

• Compound Name: (8-aminonaphthalen-1-yl)sulfonyl-octylsulfonylazanide;(4-aminophenyl)sulfonyl-octylsulfonylazanide;(4-butoxyphenyl)-diphenylsulfanium;4-(dimethylamino)butylsulfonyl-octylsulfonylazanide;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanimidate;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;tris(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone)
• PubChem CID: 159594345
• Molecular Formula: C131H187F9N11O25S14-
• Molecular Weight: 2935.91 g/mol
• Exact Mass: 2932.97
• IUPAC Name: (8-aminonaphthalen-1-yl)sulfonyl-octylsulfonylazanide;(4-aminophenyl)sulfonyl-octylsulfonylazanide;(4-butoxyphenyl)-diphenylsulfanium;4-(dimethylamino)butylsulfonyl-octylsulfonylazanide;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanimidate;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;tris(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone)
• SMILES: CCCCCCCCC([O-])=NS(=O)(=O)c1ccc(CN(C)C)cc1.CCCCCCCCS(=O)(=O)[N-]S(=O)(=O)CCCCN(C)C.CCCCCCCCS(=O)(=O)[N-]S(=O)(=O)c1ccc(N)cc1.CCCCCCCCS(=O)(=O)[N-]S(=O)(=O)c1cccc2cccc(N)c12.CCCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.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.O=C(C[S+]1CCCC1)c1ccccc1.O=C(C[S+]1CCCC1)c1ccccc1.O=C(C[S+]1CCCC1)c1ccccc1
• InChI: InChI=1S/C22H23OS.C18H25N2O4S2.C18H30N2O3S.C14H23N2O4S2.C14H31N2O4S2.3C12H15OS.C9H11F9N3O6S3/c1-2-3-18-23-19-14-16-22(17-15-19)24(20-10-6-4-7-11-20)21-12-8-5-9-13-21;1-2-3-4-5-6-7-14-25(21,22)20-26(23,24)17-13-9-11-15-10-8-12-16(19)18(15)17;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;1-2-3-4-5-6-7-12-21(17,18)16-22(19,20)14-10-8-13(15)9-11-14;1-4-5-6-7-8-10-13-21(17,18)15-22(19,20)14-11-9-12-16(2)3;3*13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;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/h4-17H,2-3,18H2,1H3;8-13H,2-7,14,19H2,1H3;11-14H,4-10,15H2,1-3H3,(H,19,21);8-11H,2-7,12,15H2,1H3;4-14H2,1-3H3;3*1-3,6-7H,4-5,8-10H2;2-5H2,1H3/q+1;-1;;2*-1;3*+1;-1/p-1
• InChIKey: MKQGRWXLAMDWNK-UHFFFAOYSA-M
• XLogP: 26.61
• TPSA: 558.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 30
• Rotatable Bonds: 68
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2935.91
LogP ≤ 5	26.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	30

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 (8-aminonaphthalen-1-yl)sulfonyl-octylsulfonylazanide;(4-aminophenyl)sulfonyl-octylsulfonylazanide;(4-butoxyphenyl)-diphenylsulfanium;4-(dimethylamino)butylsulfonyl-octylsulfonylazanide;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanimidate;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;tris(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone)?

The IUPAC name of (8-aminonaphthalen-1-yl)sulfonyl-octylsulfonylazanide;(4-aminophenyl)sulfonyl-octylsulfonylazanide;(4-butoxyphenyl)-diphenylsulfanium;4-(dimethylamino)butylsulfonyl-octylsulfonylazanide;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanimidate;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;tris(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone) (CID 159594345) is (8-aminonaphthalen-1-yl)sulfonyl-octylsulfonylazanide;(4-aminophenyl)sulfonyl-octylsulfonylazanide;(4-butoxyphenyl)-diphenylsulfanium;4-(dimethylamino)butylsulfonyl-octylsulfonylazanide;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanimidate;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;tris(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone).

What is the SMILES notation for (8-aminonaphthalen-1-yl)sulfonyl-octylsulfonylazanide;(4-aminophenyl)sulfonyl-octylsulfonylazanide;(4-butoxyphenyl)-diphenylsulfanium;4-(dimethylamino)butylsulfonyl-octylsulfonylazanide;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanimidate;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;tris(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone)?

The canonical SMILES for (8-aminonaphthalen-1-yl)sulfonyl-octylsulfonylazanide;(4-aminophenyl)sulfonyl-octylsulfonylazanide;(4-butoxyphenyl)-diphenylsulfanium;4-(dimethylamino)butylsulfonyl-octylsulfonylazanide;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanimidate;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;tris(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone) is CCCCCCCCC([O-])=NS(=O)(=O)c1ccc(CN(C)C)cc1.CCCCCCCCS(=O)(=O)[N-]S(=O)(=O)CCCCN(C)C.CCCCCCCCS(=O)(=O)[N-]S(=O)(=O)c1ccc(N)cc1.CCCCCCCCS(=O)(=O)[N-]S(=O)(=O)c1cccc2cccc(N)c12.CCCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.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.O=C(C[S+]1CCCC1)c1ccccc1.O=C(C[S+]1CCCC1)c1ccccc1.O=C(C[S+]1CCCC1)c1ccccc1.

What is the InChIKey of (8-aminonaphthalen-1-yl)sulfonyl-octylsulfonylazanide;(4-aminophenyl)sulfonyl-octylsulfonylazanide;(4-butoxyphenyl)-diphenylsulfanium;4-(dimethylamino)butylsulfonyl-octylsulfonylazanide;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanimidate;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;tris(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone)?

The InChIKey is MKQGRWXLAMDWNK-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H23OS.C18H25N2O4S2.C18H30N2O3S.C14H23N2O4S2.C14H31N2O4S2.3C12H15OS.C9H11F9N3O6S3/c1-2-3-18-23-19-14-16-22(17-15-19)24(20-10-6-4-7-11-20)21-12-8-5-9-13-21;1-2-3-4-5-6-7-14-25(21,22)20-26(23,24)17-13-9-11-15-10-8-12-16(19)18(15)17;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;1-2-3-4-5-6-7-12-21(17,18)16-22(19,20)14-10-8-13(15)9-11-14;1-4-5-6-7-8-10-13-21(17,18)15-22(19,20)14-11-9-12-16(2)3;3*13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;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/h4-17H,2-3,18H2,1H3;8-13H,2-7,14,19H2,1H3;11-14H,4-10,15H2,1-3H3,(H,19,21);8-11H,2-7,12,15H2,1H3;4-14H2,1-3H3;3*1-3,6-7H,4-5,8-10H2;2-5H2,1H3/q+1;-1;;2*-1;3*+1;-1/p-1.

What are the key properties of (8-aminonaphthalen-1-yl)sulfonyl-octylsulfonylazanide;(4-aminophenyl)sulfonyl-octylsulfonylazanide;(4-butoxyphenyl)-diphenylsulfanium;4-(dimethylamino)butylsulfonyl-octylsulfonylazanide;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanimidate;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;tris(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone)?

(8-aminonaphthalen-1-yl)sulfonyl-octylsulfonylazanide;(4-aminophenyl)sulfonyl-octylsulfonylazanide;(4-butoxyphenyl)-diphenylsulfanium;4-(dimethylamino)butylsulfonyl-octylsulfonylazanide;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanimidate;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;tris(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone) has a molecular weight of 2935.91 g/mol, XLogP of 26.61, 68 rotatable bonds, 2 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for (8-aminonaphthalen-1-yl)sulfonyl-octylsulfonylazanide;(4-aminophenyl)sulfonyl-octylsulfonylazanide;(4-butoxyphenyl)-diphenylsulfanium;4-(dimethylamino)butylsulfonyl-octylsulfonylazanide;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanimidate;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;tris(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone) is sourced from PubChem (CID 159594345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).