bis((4-aminophenyl)sulfonyl-octylsulfonylazanide);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;dibutyl(phenacyl)sulfanium;bis(3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one);(1,1,2,2,3,3-hexafluoro-3-piperazin-1-ylsulfonylpropyl)sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]sulfonyl-octylsulfonylazanide;1-methyl-3-(thiolan-1-ium-1-yl)-2,3-dihydroindole;N-(trifluoromethylsulfonyl)pyridine-3-carboximidate

C129H194F12N12O27S15 — CID 158946281

About bis((4-aminophenyl)sulfonyl-octylsulfonylazanide);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;dibutyl(phenacyl)sulfanium;bis(3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one);(1,1,2,2,3,3-hexafluoro-3-piperazin-1-ylsulfonylpropyl)sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]sulfonyl-octylsulfonylazanide;1-methyl-3-(thiolan-1-ium-1-yl)-2,3-dihydroindole;N-(trifluoromethylsulfonyl)pyridine-3-carboximidate

bis((4-aminophenyl)sulfonyl-octylsulfonylazanide);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;dibutyl(phenacyl)sulfanium;bis(3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one);(1,1,2,2,3,3-hexafluoro-3-piperazin-1-ylsulfonylpropyl)sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]sulfonyl-octylsulfonylazanide;1-methyl-3-(thiolan-1-ium-1-yl)-2,3-dihydroindole;N-(trifluoromethylsulfonyl)pyridine-3-carboximidate (PubChem CID 158946281) has the molecular formula C129H194F12N12O27S15 and a molecular weight of 3054.01 g/mol. Its IUPAC name is bis((4-aminophenyl)sulfonyl-octylsulfonylazanide);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;dibutyl(phenacyl)sulfanium;bis(3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one);(1,1,2,2,3,3-hexafluoro-3-piperazin-1-ylsulfonylpropyl)sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]sulfonyl-octylsulfonylazanide;1-methyl-3-(thiolan-1-ium-1-yl)-2,3-dihydroindole;N-(trifluoromethylsulfonyl)pyridine-3-carboximidate.

Molecular Properties

• Compound Name: bis((4-aminophenyl)sulfonyl-octylsulfonylazanide);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;dibutyl(phenacyl)sulfanium;bis(3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one);(1,1,2,2,3,3-hexafluoro-3-piperazin-1-ylsulfonylpropyl)sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]sulfonyl-octylsulfonylazanide;1-methyl-3-(thiolan-1-ium-1-yl)-2,3-dihydroindole;N-(trifluoromethylsulfonyl)pyridine-3-carboximidate
• PubChem CID: 158946281
• Molecular Formula: C129H194F12N12O27S15
• Molecular Weight: 3054.01 g/mol
• Exact Mass: 3050.98
• IUPAC Name: bis((4-aminophenyl)sulfonyl-octylsulfonylazanide);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;dibutyl(phenacyl)sulfanium;bis(3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one);(1,1,2,2,3,3-hexafluoro-3-piperazin-1-ylsulfonylpropyl)sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]sulfonyl-octylsulfonylazanide;1-methyl-3-(thiolan-1-ium-1-yl)-2,3-dihydroindole;N-(trifluoromethylsulfonyl)pyridine-3-carboximidate
• SMILES: CC(C)(C)C(=O)C[S+]1CCCC1.CC(C)(C)C(=O)C[S+]1CCCC1.CCCCCCCCS(=O)(=O)[N-]S(=O)(=O)c1ccc(N)cc1.CCCCCCCCS(=O)(=O)[N-]S(=O)(=O)c1ccc(N)cc1.CCCCCCCCS(=O)(=O)[N-]S(=O)(=O)c1ccc(NC(=O)OC(C)(C)C)cc1.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.CCCC[S+](CCCC)CC(=O)c1ccccc1.CN1CC([S+]2CCCC2)c2ccccc21.O=S(=O)(N=C([O-])c1cccnc1)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCNCC1)C(F)(F)F
• InChI: InChI=1S/C19H31N2O6S2.C18H23OS.C16H25OS.2C14H23N2O4S2.C13H18NS.2C10H19OS.C8H9F9N3O6S3.C7H5F3N2O3S/c1-5-6-7-8-9-10-15-28(23,24)21-29(25,26)17-13-11-16(12-14-17)20-18(22)27-19(2,3)4;1-2-3-12-19-17-10-11-18(20-13-6-7-14-20)16-9-5-4-8-15(16)17;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;2*1-10(2,3)9(11)8-12-6-4-5-7-12;9-5(10,7(13,14)29(25,26)20-3-1-18-2-4-20)6(11,12)27(21,22)19-28(23,24)8(15,16)17;8-7(9,10)16(14,15)12-6(13)5-2-1-3-11-4-5/h11-14H,5-10,15H2,1-4H3,(H,20,22);4-5,8-11H,2-3,6-7,12-14H2,1H3;7-11H,3-6,12-14H2,1-2H3;2*8-11H,2-7,12,15H2,1H3;2-3,6-7,13H,4-5,8-10H2,1H3;2*4-8H2,1-3H3;18H,1-4H2;1-4H,(H,12,13)/q-1;2*+1;2*-1;3*+1;-1;/p-1
• InChIKey: JKWCOBCKDDTOBW-UHFFFAOYSA-M
• XLogP: 26.96
• TPSA: 615.43 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 32
• Rotatable Bonds: 59
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3054.01
LogP ≤ 5	26.96
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	32

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 bis((4-aminophenyl)sulfonyl-octylsulfonylazanide);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;dibutyl(phenacyl)sulfanium;bis(3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one);(1,1,2,2,3,3-hexafluoro-3-piperazin-1-ylsulfonylpropyl)sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]sulfonyl-octylsulfonylazanide;1-methyl-3-(thiolan-1-ium-1-yl)-2,3-dihydroindole;N-(trifluoromethylsulfonyl)pyridine-3-carboximidate?

The IUPAC name of bis((4-aminophenyl)sulfonyl-octylsulfonylazanide);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;dibutyl(phenacyl)sulfanium;bis(3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one);(1,1,2,2,3,3-hexafluoro-3-piperazin-1-ylsulfonylpropyl)sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]sulfonyl-octylsulfonylazanide;1-methyl-3-(thiolan-1-ium-1-yl)-2,3-dihydroindole;N-(trifluoromethylsulfonyl)pyridine-3-carboximidate (CID 158946281) is bis((4-aminophenyl)sulfonyl-octylsulfonylazanide);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;dibutyl(phenacyl)sulfanium;bis(3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one);(1,1,2,2,3,3-hexafluoro-3-piperazin-1-ylsulfonylpropyl)sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]sulfonyl-octylsulfonylazanide;1-methyl-3-(thiolan-1-ium-1-yl)-2,3-dihydroindole;N-(trifluoromethylsulfonyl)pyridine-3-carboximidate.

What is the SMILES notation for bis((4-aminophenyl)sulfonyl-octylsulfonylazanide);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;dibutyl(phenacyl)sulfanium;bis(3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one);(1,1,2,2,3,3-hexafluoro-3-piperazin-1-ylsulfonylpropyl)sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]sulfonyl-octylsulfonylazanide;1-methyl-3-(thiolan-1-ium-1-yl)-2,3-dihydroindole;N-(trifluoromethylsulfonyl)pyridine-3-carboximidate?

The canonical SMILES for bis((4-aminophenyl)sulfonyl-octylsulfonylazanide);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;dibutyl(phenacyl)sulfanium;bis(3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one);(1,1,2,2,3,3-hexafluoro-3-piperazin-1-ylsulfonylpropyl)sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]sulfonyl-octylsulfonylazanide;1-methyl-3-(thiolan-1-ium-1-yl)-2,3-dihydroindole;N-(trifluoromethylsulfonyl)pyridine-3-carboximidate is CC(C)(C)C(=O)C[S+]1CCCC1.CC(C)(C)C(=O)C[S+]1CCCC1.CCCCCCCCS(=O)(=O)[N-]S(=O)(=O)c1ccc(N)cc1.CCCCCCCCS(=O)(=O)[N-]S(=O)(=O)c1ccc(N)cc1.CCCCCCCCS(=O)(=O)[N-]S(=O)(=O)c1ccc(NC(=O)OC(C)(C)C)cc1.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.CCCC[S+](CCCC)CC(=O)c1ccccc1.CN1CC([S+]2CCCC2)c2ccccc21.O=S(=O)(N=C([O-])c1cccnc1)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCNCC1)C(F)(F)F.

What is the InChIKey of bis((4-aminophenyl)sulfonyl-octylsulfonylazanide);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;dibutyl(phenacyl)sulfanium;bis(3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one);(1,1,2,2,3,3-hexafluoro-3-piperazin-1-ylsulfonylpropyl)sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]sulfonyl-octylsulfonylazanide;1-methyl-3-(thiolan-1-ium-1-yl)-2,3-dihydroindole;N-(trifluoromethylsulfonyl)pyridine-3-carboximidate?

The InChIKey is JKWCOBCKDDTOBW-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H31N2O6S2.C18H23OS.C16H25OS.2C14H23N2O4S2.C13H18NS.2C10H19OS.C8H9F9N3O6S3.C7H5F3N2O3S/c1-5-6-7-8-9-10-15-28(23,24)21-29(25,26)17-13-11-16(12-14-17)20-18(22)27-19(2,3)4;1-2-3-12-19-17-10-11-18(20-13-6-7-14-20)16-9-5-4-8-15(16)17;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;2*1-10(2,3)9(11)8-12-6-4-5-7-12;9-5(10,7(13,14)29(25,26)20-3-1-18-2-4-20)6(11,12)27(21,22)19-28(23,24)8(15,16)17;8-7(9,10)16(14,15)12-6(13)5-2-1-3-11-4-5/h11-14H,5-10,15H2,1-4H3,(H,20,22);4-5,8-11H,2-3,6-7,12-14H2,1H3;7-11H,3-6,12-14H2,1-2H3;2*8-11H,2-7,12,15H2,1H3;2-3,6-7,13H,4-5,8-10H2,1H3;2*4-8H2,1-3H3;18H,1-4H2;1-4H,(H,12,13)/q-1;2*+1;2*-1;3*+1;-1;/p-1.

What are the key properties of bis((4-aminophenyl)sulfonyl-octylsulfonylazanide);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;dibutyl(phenacyl)sulfanium;bis(3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one);(1,1,2,2,3,3-hexafluoro-3-piperazin-1-ylsulfonylpropyl)sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]sulfonyl-octylsulfonylazanide;1-methyl-3-(thiolan-1-ium-1-yl)-2,3-dihydroindole;N-(trifluoromethylsulfonyl)pyridine-3-carboximidate?

bis((4-aminophenyl)sulfonyl-octylsulfonylazanide);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;dibutyl(phenacyl)sulfanium;bis(3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one);(1,1,2,2,3,3-hexafluoro-3-piperazin-1-ylsulfonylpropyl)sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]sulfonyl-octylsulfonylazanide;1-methyl-3-(thiolan-1-ium-1-yl)-2,3-dihydroindole;N-(trifluoromethylsulfonyl)pyridine-3-carboximidate has a molecular weight of 3054.01 g/mol, XLogP of 26.96, 59 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for bis((4-aminophenyl)sulfonyl-octylsulfonylazanide);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;dibutyl(phenacyl)sulfanium;bis(3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one);(1,1,2,2,3,3-hexafluoro-3-piperazin-1-ylsulfonylpropyl)sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]sulfonyl-octylsulfonylazanide;1-methyl-3-(thiolan-1-ium-1-yl)-2,3-dihydroindole;N-(trifluoromethylsulfonyl)pyridine-3-carboximidate is sourced from PubChem (CID 158946281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).