4-amino-N-octylsulfonylbenzenesulfonamide;N-(4-aminophenyl)sulfonylacetamide;bis(bis[4-(2-methylbutan-2-yl)phenyl]iodanium);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;N-(2-cyclohexylethylsulfonyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanamide;4-methyl-2,6-di(propan-2-yl)aniline;tetrakis(1-methyl-3-(thiolan-1-ium-1-yl)indole);N-(4-pyrrolidin-1-ylphenyl)sulfonylnonanamide;N-(trifluoromethylsulfonyl)pyridine-3-carboxamide

C205H283F12I2N16O21S13+7 — CID 159804793

About 4-amino-N-octylsulfonylbenzenesulfonamide;N-(4-aminophenyl)sulfonylacetamide;bis(bis[4-(2-methylbutan-2-yl)phenyl]iodanium);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;N-(2-cyclohexylethylsulfonyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanamide;4-methyl-2,6-di(propan-2-yl)aniline;tetrakis(1-methyl-3-(thiolan-1-ium-1-yl)indole);N-(4-pyrrolidin-1-ylphenyl)sulfonylnonanamide;N-(trifluoromethylsulfonyl)pyridine-3-carboxamide

4-amino-N-octylsulfonylbenzenesulfonamide;N-(4-aminophenyl)sulfonylacetamide;bis(bis[4-(2-methylbutan-2-yl)phenyl]iodanium);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;N-(2-cyclohexylethylsulfonyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanamide;4-methyl-2,6-di(propan-2-yl)aniline;tetrakis(1-methyl-3-(thiolan-1-ium-1-yl)indole);N-(4-pyrrolidin-1-ylphenyl)sulfonylnonanamide;N-(trifluoromethylsulfonyl)pyridine-3-carboxamide (PubChem CID 159804793) has the molecular formula C205H283F12I2N16O21S13+7 and a molecular weight of 4206.26 g/mol. Its IUPAC name is 4-amino-N-octylsulfonylbenzenesulfonamide;N-(4-aminophenyl)sulfonylacetamide;bis(bis[4-(2-methylbutan-2-yl)phenyl]iodanium);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;N-(2-cyclohexylethylsulfonyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanamide;4-methyl-2,6-di(propan-2-yl)aniline;tetrakis(1-methyl-3-(thiolan-1-ium-1-yl)indole);N-(4-pyrrolidin-1-ylphenyl)sulfonylnonanamide;N-(trifluoromethylsulfonyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-amino-N-octylsulfonylbenzenesulfonamide;N-(4-aminophenyl)sulfonylacetamide;bis(bis[4-(2-methylbutan-2-yl)phenyl]iodanium);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;N-(2-cyclohexylethylsulfonyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanamide;4-methyl-2,6-di(propan-2-yl)aniline;tetrakis(1-methyl-3-(thiolan-1-ium-1-yl)indole);N-(4-pyrrolidin-1-ylphenyl)sulfonylnonanamide;N-(trifluoromethylsulfonyl)pyridine-3-carboxamide
• PubChem CID: 159804793
• Molecular Formula: C205H283F12I2N16O21S13+7
• Molecular Weight: 4206.26 g/mol
• Exact Mass: 4202.58
• IUPAC Name: 4-amino-N-octylsulfonylbenzenesulfonamide;N-(4-aminophenyl)sulfonylacetamide;bis(bis[4-(2-methylbutan-2-yl)phenyl]iodanium);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;N-(2-cyclohexylethylsulfonyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanamide;4-methyl-2,6-di(propan-2-yl)aniline;tetrakis(1-methyl-3-(thiolan-1-ium-1-yl)indole);N-(4-pyrrolidin-1-ylphenyl)sulfonylnonanamide;N-(trifluoromethylsulfonyl)pyridine-3-carboxamide
• SMILES: CC(=O)NS(=O)(=O)c1ccc(N)cc1.CCC(C)(C)c1ccc([I+]c2ccc(C(C)(C)CC)cc2)cc1.CCC(C)(C)c1ccc([I+]c2ccc(C(C)(C)CC)cc2)cc1.CCCCCCCCC(=O)NS(=O)(=O)c1ccc(CN(C)C)cc1.CCCCCCCCC(=O)NS(=O)(=O)c1ccc(N2CCCC2)cc1.CCCCCCCCS(=O)(=O)NS(=O)(=O)c1ccc(N)cc1.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.Cc1cc(C(C)C)c(N)c(C(C)C)c1.Cn1cc([S+]2CCCC2)c2ccccc21.Cn1cc([S+]2CCCC2)c2ccccc21.Cn1cc([S+]2CCCC2)c2ccccc21.Cn1cc([S+]2CCCC2)c2ccccc21.O=C(NS(=O)(=O)C(F)(F)F)c1cccnc1.O=S(=O)(CCC1CCCCC1)NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
• InChI: InChI=1S/2C22H30I.C19H30N2O3S.C18H30N2O3S.C18H23OS.C14H24N2O4S2.4C13H16NS.C13H21N.C12H16F9NO4S2.C8H10N2O3S.C7H5F3N2O3S/c2*1-7-21(3,4)17-9-13-19(14-10-17)23-20-15-11-18(12-16-20)22(5,6)8-2;1-2-3-4-5-6-7-10-19(22)20-25(23,24)18-13-11-17(12-14-18)21-15-8-9-16-21;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;1-2-3-12-19-17-10-11-18(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;4*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;13-9(14,11(17,18)19)10(15,16)12(20,21)28(25,26)22-27(23,24)7-6-8-4-2-1-3-5-8;1-6(11)10-14(12,13)8-4-2-7(9)3-5-8;8-7(9,10)16(14,15)12-6(13)5-2-1-3-11-4-5/h2*9-16H,7-8H2,1-6H3;11-14H,2-10,15-16H2,1H3,(H,20,22);11-14H,4-10,15H2,1-3H3,(H,19,21);4-5,8-11H,2-3,6-7,12-14H2,1H3;8-11,16H,2-7,12,15H2,1H3;4*2-3,6-7,10H,4-5,8-9H2,1H3;6-9H,14H2,1-5H3;8,22H,1-7H2;2-5H,9H2,1H3,(H,10,11);1-4H,(H,12,13)/q2*+1;;;+1;;4*+1
• InChIKey: NKGDUEINPNKLIU-UHFFFAOYSA-N
• XLogP: 40.56
• TPSA: 539.96 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 31
• Rotatable Bonds: 66
• Heavy Atoms: 269
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4206.26
LogP ≤ 5	40.56
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	31

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': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-octylsulfonylbenzenesulfonamide;N-(4-aminophenyl)sulfonylacetamide;bis(bis[4-(2-methylbutan-2-yl)phenyl]iodanium);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;N-(2-cyclohexylethylsulfonyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanamide;4-methyl-2,6-di(propan-2-yl)aniline;tetrakis(1-methyl-3-(thiolan-1-ium-1-yl)indole);N-(4-pyrrolidin-1-ylphenyl)sulfonylnonanamide;N-(trifluoromethylsulfonyl)pyridine-3-carboxamide?

The IUPAC name of 4-amino-N-octylsulfonylbenzenesulfonamide;N-(4-aminophenyl)sulfonylacetamide;bis(bis[4-(2-methylbutan-2-yl)phenyl]iodanium);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;N-(2-cyclohexylethylsulfonyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanamide;4-methyl-2,6-di(propan-2-yl)aniline;tetrakis(1-methyl-3-(thiolan-1-ium-1-yl)indole);N-(4-pyrrolidin-1-ylphenyl)sulfonylnonanamide;N-(trifluoromethylsulfonyl)pyridine-3-carboxamide (CID 159804793) is 4-amino-N-octylsulfonylbenzenesulfonamide;N-(4-aminophenyl)sulfonylacetamide;bis(bis[4-(2-methylbutan-2-yl)phenyl]iodanium);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;N-(2-cyclohexylethylsulfonyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanamide;4-methyl-2,6-di(propan-2-yl)aniline;tetrakis(1-methyl-3-(thiolan-1-ium-1-yl)indole);N-(4-pyrrolidin-1-ylphenyl)sulfonylnonanamide;N-(trifluoromethylsulfonyl)pyridine-3-carboxamide.

What is the SMILES notation for 4-amino-N-octylsulfonylbenzenesulfonamide;N-(4-aminophenyl)sulfonylacetamide;bis(bis[4-(2-methylbutan-2-yl)phenyl]iodanium);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;N-(2-cyclohexylethylsulfonyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanamide;4-methyl-2,6-di(propan-2-yl)aniline;tetrakis(1-methyl-3-(thiolan-1-ium-1-yl)indole);N-(4-pyrrolidin-1-ylphenyl)sulfonylnonanamide;N-(trifluoromethylsulfonyl)pyridine-3-carboxamide?

The canonical SMILES for 4-amino-N-octylsulfonylbenzenesulfonamide;N-(4-aminophenyl)sulfonylacetamide;bis(bis[4-(2-methylbutan-2-yl)phenyl]iodanium);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;N-(2-cyclohexylethylsulfonyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanamide;4-methyl-2,6-di(propan-2-yl)aniline;tetrakis(1-methyl-3-(thiolan-1-ium-1-yl)indole);N-(4-pyrrolidin-1-ylphenyl)sulfonylnonanamide;N-(trifluoromethylsulfonyl)pyridine-3-carboxamide is CC(=O)NS(=O)(=O)c1ccc(N)cc1.CCC(C)(C)c1ccc([I+]c2ccc(C(C)(C)CC)cc2)cc1.CCC(C)(C)c1ccc([I+]c2ccc(C(C)(C)CC)cc2)cc1.CCCCCCCCC(=O)NS(=O)(=O)c1ccc(CN(C)C)cc1.CCCCCCCCC(=O)NS(=O)(=O)c1ccc(N2CCCC2)cc1.CCCCCCCCS(=O)(=O)NS(=O)(=O)c1ccc(N)cc1.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.Cc1cc(C(C)C)c(N)c(C(C)C)c1.Cn1cc([S+]2CCCC2)c2ccccc21.Cn1cc([S+]2CCCC2)c2ccccc21.Cn1cc([S+]2CCCC2)c2ccccc21.Cn1cc([S+]2CCCC2)c2ccccc21.O=C(NS(=O)(=O)C(F)(F)F)c1cccnc1.O=S(=O)(CCC1CCCCC1)NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.

What is the InChIKey of 4-amino-N-octylsulfonylbenzenesulfonamide;N-(4-aminophenyl)sulfonylacetamide;bis(bis[4-(2-methylbutan-2-yl)phenyl]iodanium);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;N-(2-cyclohexylethylsulfonyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanamide;4-methyl-2,6-di(propan-2-yl)aniline;tetrakis(1-methyl-3-(thiolan-1-ium-1-yl)indole);N-(4-pyrrolidin-1-ylphenyl)sulfonylnonanamide;N-(trifluoromethylsulfonyl)pyridine-3-carboxamide?

The InChIKey is NKGDUEINPNKLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H30I.C19H30N2O3S.C18H30N2O3S.C18H23OS.C14H24N2O4S2.4C13H16NS.C13H21N.C12H16F9NO4S2.C8H10N2O3S.C7H5F3N2O3S/c2*1-7-21(3,4)17-9-13-19(14-10-17)23-20-15-11-18(12-16-20)22(5,6)8-2;1-2-3-4-5-6-7-10-19(22)20-25(23,24)18-13-11-17(12-14-18)21-15-8-9-16-21;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;1-2-3-12-19-17-10-11-18(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;4*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;13-9(14,11(17,18)19)10(15,16)12(20,21)28(25,26)22-27(23,24)7-6-8-4-2-1-3-5-8;1-6(11)10-14(12,13)8-4-2-7(9)3-5-8;8-7(9,10)16(14,15)12-6(13)5-2-1-3-11-4-5/h2*9-16H,7-8H2,1-6H3;11-14H,2-10,15-16H2,1H3,(H,20,22);11-14H,4-10,15H2,1-3H3,(H,19,21);4-5,8-11H,2-3,6-7,12-14H2,1H3;8-11,16H,2-7,12,15H2,1H3;4*2-3,6-7,10H,4-5,8-9H2,1H3;6-9H,14H2,1-5H3;8,22H,1-7H2;2-5H,9H2,1H3,(H,10,11);1-4H,(H,12,13)/q2*+1;;;+1;;4*+1;;;;.

What are the key properties of 4-amino-N-octylsulfonylbenzenesulfonamide;N-(4-aminophenyl)sulfonylacetamide;bis(bis[4-(2-methylbutan-2-yl)phenyl]iodanium);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;N-(2-cyclohexylethylsulfonyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanamide;4-methyl-2,6-di(propan-2-yl)aniline;tetrakis(1-methyl-3-(thiolan-1-ium-1-yl)indole);N-(4-pyrrolidin-1-ylphenyl)sulfonylnonanamide;N-(trifluoromethylsulfonyl)pyridine-3-carboxamide?

4-amino-N-octylsulfonylbenzenesulfonamide;N-(4-aminophenyl)sulfonylacetamide;bis(bis[4-(2-methylbutan-2-yl)phenyl]iodanium);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;N-(2-cyclohexylethylsulfonyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanamide;4-methyl-2,6-di(propan-2-yl)aniline;tetrakis(1-methyl-3-(thiolan-1-ium-1-yl)indole);N-(4-pyrrolidin-1-ylphenyl)sulfonylnonanamide;N-(trifluoromethylsulfonyl)pyridine-3-carboxamide has a molecular weight of 4206.26 g/mol, XLogP of 40.56, 66 rotatable bonds, 9 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-N-octylsulfonylbenzenesulfonamide;N-(4-aminophenyl)sulfonylacetamide;bis(bis[4-(2-methylbutan-2-yl)phenyl]iodanium);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;N-(2-cyclohexylethylsulfonyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanamide;4-methyl-2,6-di(propan-2-yl)aniline;tetrakis(1-methyl-3-(thiolan-1-ium-1-yl)indole);N-(4-pyrrolidin-1-ylphenyl)sulfonylnonanamide;N-(trifluoromethylsulfonyl)pyridine-3-carboxamide is sourced from PubChem (CID 159804793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).