(4-aminophenyl)sulfonyl-octylsulfonylazanide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;4-methyl-2,6-di(propan-2-yl)aniline;[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]sulfonyl-octylsulfonylazanide;bis(1-methyl-3-(thiolan-1-ium-1-yl)indole);N-(trifluoromethylsulfonyl)pyridine-3-carboximidate

C107H153F3N9O15S9+ — CID 161278192

About (4-aminophenyl)sulfonyl-octylsulfonylazanide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;4-methyl-2,6-di(propan-2-yl)aniline;[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]sulfonyl-octylsulfonylazanide;bis(1-methyl-3-(thiolan-1-ium-1-yl)indole);N-(trifluoromethylsulfonyl)pyridine-3-carboximidate

(4-aminophenyl)sulfonyl-octylsulfonylazanide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;4-methyl-2,6-di(propan-2-yl)aniline;[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]sulfonyl-octylsulfonylazanide;bis(1-methyl-3-(thiolan-1-ium-1-yl)indole);N-(trifluoromethylsulfonyl)pyridine-3-carboximidate (PubChem CID 161278192) has the molecular formula C107H153F3N9O15S9+ and a molecular weight of 2151.05 g/mol. Its IUPAC name is (4-aminophenyl)sulfonyl-octylsulfonylazanide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;4-methyl-2,6-di(propan-2-yl)aniline;[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]sulfonyl-octylsulfonylazanide;bis(1-methyl-3-(thiolan-1-ium-1-yl)indole);N-(trifluoromethylsulfonyl)pyridine-3-carboximidate.

Molecular Properties

• Compound Name: (4-aminophenyl)sulfonyl-octylsulfonylazanide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;4-methyl-2,6-di(propan-2-yl)aniline;[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]sulfonyl-octylsulfonylazanide;bis(1-methyl-3-(thiolan-1-ium-1-yl)indole);N-(trifluoromethylsulfonyl)pyridine-3-carboximidate
• PubChem CID: 161278192
• Molecular Formula: C107H153F3N9O15S9+
• Molecular Weight: 2151.05 g/mol
• Exact Mass: 2148.89
• IUPAC Name: (4-aminophenyl)sulfonyl-octylsulfonylazanide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;4-methyl-2,6-di(propan-2-yl)aniline;[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]sulfonyl-octylsulfonylazanide;bis(1-methyl-3-(thiolan-1-ium-1-yl)indole);N-(trifluoromethylsulfonyl)pyridine-3-carboximidate
• SMILES: 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(NC(=O)OC(C)(C)C)cc1.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.Cc1cc(C(C)C)c(N)c(C(C)C)c1.Cn1cc([S+]2CCCC2)c2ccccc21.Cn1cc([S+]2CCCC2)c2ccccc21.O=S(=O)(N=C([O-])c1cccnc1)C(F)(F)F
• InChI: InChI=1S/C19H31N2O6S2.C18H23OS.C14H23N2O4S2.2C13H16NS.C13H21N.C10H19OS.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;1-2-3-4-5-6-7-12-21(17,18)16-22(19,20)14-10-8-13(15)9-11-14;2*1-14-10-13(15-8-4-5-9-15)11-6-2-3-7-12(11)14;1-8(2)11-6-10(5)7-12(9(3)4)13(11)14;1-10(2,3)9(11)8-12-6-4-5-7-12;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;8-11H,2-7,12,15H2,1H3;2*2-3,6-7,10H,4-5,8-9H2,1H3;6-9H,14H2,1-5H3;4-8H2,1-3H3;1-4H,(H,12,13)/q-1;+1;-1;2*+1;;+1;/p-1
• InChIKey: VESKWWXFHXJNIQ-UHFFFAOYSA-M
• XLogP: 24.37
• TPSA: 373.74 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 34
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2151.05
LogP ≤ 5	24.37
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

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;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;4-methyl-2,6-di(propan-2-yl)aniline;[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]sulfonyl-octylsulfonylazanide;bis(1-methyl-3-(thiolan-1-ium-1-yl)indole);N-(trifluoromethylsulfonyl)pyridine-3-carboximidate?

The IUPAC name of (4-aminophenyl)sulfonyl-octylsulfonylazanide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;4-methyl-2,6-di(propan-2-yl)aniline;[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]sulfonyl-octylsulfonylazanide;bis(1-methyl-3-(thiolan-1-ium-1-yl)indole);N-(trifluoromethylsulfonyl)pyridine-3-carboximidate (CID 161278192) is (4-aminophenyl)sulfonyl-octylsulfonylazanide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;4-methyl-2,6-di(propan-2-yl)aniline;[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]sulfonyl-octylsulfonylazanide;bis(1-methyl-3-(thiolan-1-ium-1-yl)indole);N-(trifluoromethylsulfonyl)pyridine-3-carboximidate.

What is the SMILES notation for (4-aminophenyl)sulfonyl-octylsulfonylazanide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;4-methyl-2,6-di(propan-2-yl)aniline;[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]sulfonyl-octylsulfonylazanide;bis(1-methyl-3-(thiolan-1-ium-1-yl)indole);N-(trifluoromethylsulfonyl)pyridine-3-carboximidate?

The canonical SMILES for (4-aminophenyl)sulfonyl-octylsulfonylazanide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;4-methyl-2,6-di(propan-2-yl)aniline;[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]sulfonyl-octylsulfonylazanide;bis(1-methyl-3-(thiolan-1-ium-1-yl)indole);N-(trifluoromethylsulfonyl)pyridine-3-carboximidate is 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(NC(=O)OC(C)(C)C)cc1.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.Cc1cc(C(C)C)c(N)c(C(C)C)c1.Cn1cc([S+]2CCCC2)c2ccccc21.Cn1cc([S+]2CCCC2)c2ccccc21.O=S(=O)(N=C([O-])c1cccnc1)C(F)(F)F.

What is the InChIKey of (4-aminophenyl)sulfonyl-octylsulfonylazanide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;4-methyl-2,6-di(propan-2-yl)aniline;[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]sulfonyl-octylsulfonylazanide;bis(1-methyl-3-(thiolan-1-ium-1-yl)indole);N-(trifluoromethylsulfonyl)pyridine-3-carboximidate?

The InChIKey is VESKWWXFHXJNIQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H31N2O6S2.C18H23OS.C14H23N2O4S2.2C13H16NS.C13H21N.C10H19OS.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;1-2-3-4-5-6-7-12-21(17,18)16-22(19,20)14-10-8-13(15)9-11-14;2*1-14-10-13(15-8-4-5-9-15)11-6-2-3-7-12(11)14;1-8(2)11-6-10(5)7-12(9(3)4)13(11)14;1-10(2,3)9(11)8-12-6-4-5-7-12;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;8-11H,2-7,12,15H2,1H3;2*2-3,6-7,10H,4-5,8-9H2,1H3;6-9H,14H2,1-5H3;4-8H2,1-3H3;1-4H,(H,12,13)/q-1;+1;-1;2*+1;;+1;/p-1.

What are the key properties of (4-aminophenyl)sulfonyl-octylsulfonylazanide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;4-methyl-2,6-di(propan-2-yl)aniline;[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]sulfonyl-octylsulfonylazanide;bis(1-methyl-3-(thiolan-1-ium-1-yl)indole);N-(trifluoromethylsulfonyl)pyridine-3-carboximidate?

(4-aminophenyl)sulfonyl-octylsulfonylazanide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;4-methyl-2,6-di(propan-2-yl)aniline;[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]sulfonyl-octylsulfonylazanide;bis(1-methyl-3-(thiolan-1-ium-1-yl)indole);N-(trifluoromethylsulfonyl)pyridine-3-carboximidate has a molecular weight of 2151.05 g/mol, XLogP of 24.37, 34 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for (4-aminophenyl)sulfonyl-octylsulfonylazanide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;4-methyl-2,6-di(propan-2-yl)aniline;[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]sulfonyl-octylsulfonylazanide;bis(1-methyl-3-(thiolan-1-ium-1-yl)indole);N-(trifluoromethylsulfonyl)pyridine-3-carboximidate is sourced from PubChem (CID 161278192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).