4-amino-N-octylsulfonylbenzenesulfonamide;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;5-(dimethylamino)-N-octylsulfonylnaphthalene-1-sulfonamide;2-(4-methylphenyl)-4H-imidazole;pyridine-3-carboxylate;N-(trifluoromethylsulfonyl)pyridine-3-carboxamide;tetrakis(triphenylsulfanium)

C151H163F3IN9O13S9+4 — CID 161984062

IUPAC4-amino-N-octylsulfonylbenzenesulfonamide;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;5-(dimethylamino)-N-octylsulfonylnaphthalene-1-sulfonamide;2-(4-methylphenyl)-4H-imidazole;pyridine-3-carboxylate;N-(trifluoromethylsulfonyl)pyridine-3-carboxamide;tetrakis(triphenylsulfanium)
SMILESCCCCCCCCS(=O)(=O)NS(=O)(=O)C1=CC=C(C=C1)N.CCCCCCCCS(=O)(=O)NS(=O)(=O)C1=CC=CC2=C1C=CC=C2N(C)C.CCC(C)(C)C1=CC=C(C=C1)[I+]C2=CC=C(C=C2)C(C)(C)CC.CC1=CC=C(C=C1)C2=NCC=N2.C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC(=CN=C1)C(=O)NS(=O)(=O)C(F)(F)F.C1=CC(=CN=C1)C(=O)[O-]
InChIInChI=1S/C22H30I.C20H30N2O4S2.4C18H15S.C14H24N2O4S2.C10H10N2.C7H5F3N2O3S.C6H5NO2/c1-7-21(3,4)17-9-13-19(14-10-17)23-20-15-11-18(12-16-20)22(5,6)8-2;1-4-5-6-7-8-9-16-27(23,24)21-28(25,26)20-15-11-12-17-18(20)13-10-14-19(17)22(2)3;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-3-4-5-6-7-12-21(17,18)16-22(19,20)14-10-8-13(15)9-11-14;1-8-2-4-9(5-3-8)10-11-6-7-12-10;8-7(9,10)16(14,15)12-6(13)5-2-1-3-11-4-5;8-6(9)5-2-1-3-7-4-5/h9-16H,7-8H2,1-6H3;10-15,21H,4-9,16H2,1-3H3;4*1-15H;8-11,16H,2-7,12,15H2,1H3;2-6H,7H2,1H3;1-4H,(H,12,13);1-4H,(H,8,9)/q+1;;4*+1;;;;/p-1
InChIKeyYQARVUBNJXBKPR-UHFFFAOYSA-M
MW2784.50 g/mol
LogP—
Rot. Bonds42

About 4-amino-N-octylsulfonylbenzenesulfonamide;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;5-(dimethylamino)-N-octylsulfonylnaphthalene-1-sulfonamide;2-(4-methylphenyl)-4H-imidazole;pyridine-3-carboxylate;N-(trifluoromethylsulfonyl)pyridine-3-carboxamide;tetrakis(triphenylsulfanium)

4-amino-N-octylsulfonylbenzenesulfonamide;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;5-(dimethylamino)-N-octylsulfonylnaphthalene-1-sulfonamide;2-(4-methylphenyl)-4H-imidazole;pyridine-3-carboxylate;N-(trifluoromethylsulfonyl)pyridine-3-carboxamide;tetrakis(triphenylsulfanium) (PubChem CID 161984062) has the molecular formula C151H163F3IN9O13S9+4 and a molecular weight of 2784.50 g/mol. Its IUPAC name is 4-amino-N-octylsulfonylbenzenesulfonamide;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;5-(dimethylamino)-N-octylsulfonylnaphthalene-1-sulfonamide;2-(4-methylphenyl)-4H-imidazole;pyridine-3-carboxylate;N-(trifluoromethylsulfonyl)pyridine-3-carboxamide;tetrakis(triphenylsulfanium).

Molecular Properties

Compound Name4-amino-N-octylsulfonylbenzenesulfonamide;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;5-(dimethylamino)-N-octylsulfonylnaphthalene-1-sulfonamide;2-(4-methylphenyl)-4H-imidazole;pyridine-3-carboxylate;N-(trifluoromethylsulfonyl)pyridine-3-carboxamide;tetrakis(triphenylsulfanium)
PubChem CID161984062
Molecular FormulaC151H163F3IN9O13S9+4
Molecular Weight2784.50 g/mol
Exact Mass2782.89
IUPAC Name4-amino-N-octylsulfonylbenzenesulfonamide;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;5-(dimethylamino)-N-octylsulfonylnaphthalene-1-sulfonamide;2-(4-methylphenyl)-4H-imidazole;pyridine-3-carboxylate;N-(trifluoromethylsulfonyl)pyridine-3-carboxamide;tetrakis(triphenylsulfanium)
SMILESCCCCCCCCS(=O)(=O)NS(=O)(=O)C1=CC=C(C=C1)N.CCCCCCCCS(=O)(=O)NS(=O)(=O)C1=CC=CC2=C1C=CC=C2N(C)C.CCC(C)(C)C1=CC=C(C=C1)[I+]C2=CC=C(C=C2)C(C)(C)CC.CC1=CC=C(C=C1)C2=NCC=N2.C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC(=CN=C1)C(=O)NS(=O)(=O)C(F)(F)F.C1=CC(=CN=C1)C(=O)[O-]
InChIInChI=1S/C22H30I.C20H30N2O4S2.4C18H15S.C14H24N2O4S2.C10H10N2.C7H5F3N2O3S.C6H5NO2/c1-7-21(3,4)17-9-13-19(14-10-17)23-20-15-11-18(12-16-20)22(5,6)8-2;1-4-5-6-7-8-9-16-27(23,24)21-28(25,26)20-15-11-12-17-18(20)13-10-14-19(17)22(2)3;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-3-4-5-6-7-12-21(17,18)16-22(19,20)14-10-8-13(15)9-11-14;1-8-2-4-9(5-3-8)10-11-6-7-12-10;8-7(9,10)16(14,15)12-6(13)5-2-1-3-11-4-5;8-6(9)5-2-1-3-7-4-5/h9-16H,7-8H2,1-6H3;10-15,21H,4-9,16H2,1-3H3;4*1-15H;8-11,16H,2-7,12,15H2,1H3;2-6H,7H2,1H3;1-4H,(H,12,13);1-4H,(H,8,9)/q+1;;4*+1;;;;/p-1
InChIKeyYQARVUBNJXBKPR-UHFFFAOYSA-M
XLogP—
TPSA390.00 Ų
H-Bond Donors4
H-Bond Acceptors23
Rotatable Bonds42
Heavy Atoms186
Complexity2350

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002784.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1023

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'}

Analyze 4-amino-N-octylsulfonylbenzenesulfonamide;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;5-(dimethylamino)-N-octylsulfonylnaphthalene-1-sulfonamide;2-(4-methylphenyl)-4H-imidazole;pyridine-3-carboxylate;N-(trifluoromethylsulfonyl)pyridine-3-carboxamide;tetrakis(triphenylsulfanium) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-octylsulfonylbenzenesulfonamide;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;5-(dimethylamino)-N-octylsulfonylnaphthalene-1-sulfonamide;2-(4-methylphenyl)-4H-imidazole;pyridine-3-carboxylate;N-(trifluoromethylsulfonyl)pyridine-3-carboxamide;tetrakis(triphenylsulfanium)?
The IUPAC name of 4-amino-N-octylsulfonylbenzenesulfonamide;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;5-(dimethylamino)-N-octylsulfonylnaphthalene-1-sulfonamide;2-(4-methylphenyl)-4H-imidazole;pyridine-3-carboxylate;N-(trifluoromethylsulfonyl)pyridine-3-carboxamide;tetrakis(triphenylsulfanium) (CID 161984062) is 4-amino-N-octylsulfonylbenzenesulfonamide;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;5-(dimethylamino)-N-octylsulfonylnaphthalene-1-sulfonamide;2-(4-methylphenyl)-4H-imidazole;pyridine-3-carboxylate;N-(trifluoromethylsulfonyl)pyridine-3-carboxamide;tetrakis(triphenylsulfanium).
What is the SMILES notation for 4-amino-N-octylsulfonylbenzenesulfonamide;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;5-(dimethylamino)-N-octylsulfonylnaphthalene-1-sulfonamide;2-(4-methylphenyl)-4H-imidazole;pyridine-3-carboxylate;N-(trifluoromethylsulfonyl)pyridine-3-carboxamide;tetrakis(triphenylsulfanium)?
The canonical SMILES for 4-amino-N-octylsulfonylbenzenesulfonamide;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;5-(dimethylamino)-N-octylsulfonylnaphthalene-1-sulfonamide;2-(4-methylphenyl)-4H-imidazole;pyridine-3-carboxylate;N-(trifluoromethylsulfonyl)pyridine-3-carboxamide;tetrakis(triphenylsulfanium) is CCCCCCCCS(=O)(=O)NS(=O)(=O)C1=CC=C(C=C1)N.CCCCCCCCS(=O)(=O)NS(=O)(=O)C1=CC=CC2=C1C=CC=C2N(C)C.CCC(C)(C)C1=CC=C(C=C1)[I+]C2=CC=C(C=C2)C(C)(C)CC.CC1=CC=C(C=C1)C2=NCC=N2.C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC(=CN=C1)C(=O)NS(=O)(=O)C(F)(F)F.C1=CC(=CN=C1)C(=O)[O-].
What is the InChIKey of 4-amino-N-octylsulfonylbenzenesulfonamide;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;5-(dimethylamino)-N-octylsulfonylnaphthalene-1-sulfonamide;2-(4-methylphenyl)-4H-imidazole;pyridine-3-carboxylate;N-(trifluoromethylsulfonyl)pyridine-3-carboxamide;tetrakis(triphenylsulfanium)?
The InChIKey is YQARVUBNJXBKPR-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H30I.C20H30N2O4S2.4C18H15S.C14H24N2O4S2.C10H10N2.C7H5F3N2O3S.C6H5NO2/c1-7-21(3,4)17-9-13-19(14-10-17)23-20-15-11-18(12-16-20)22(5,6)8-2;1-4-5-6-7-8-9-16-27(23,24)21-28(25,26)20-15-11-12-17-18(20)13-10-14-19(17)22(2)3;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-3-4-5-6-7-12-21(17,18)16-22(19,20)14-10-8-13(15)9-11-14;1-8-2-4-9(5-3-8)10-11-6-7-12-10;8-7(9,10)16(14,15)12-6(13)5-2-1-3-11-4-5;8-6(9)5-2-1-3-7-4-5/h9-16H,7-8H2,1-6H3;10-15,21H,4-9,16H2,1-3H3;4*1-15H;8-11,16H,2-7,12,15H2,1H3;2-6H,7H2,1H3;1-4H,(H,12,13);1-4H,(H,8,9)/q+1;;4*+1;;;;/p-1.
What are the key properties of 4-amino-N-octylsulfonylbenzenesulfonamide;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;5-(dimethylamino)-N-octylsulfonylnaphthalene-1-sulfonamide;2-(4-methylphenyl)-4H-imidazole;pyridine-3-carboxylate;N-(trifluoromethylsulfonyl)pyridine-3-carboxamide;tetrakis(triphenylsulfanium)?
4-amino-N-octylsulfonylbenzenesulfonamide;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;5-(dimethylamino)-N-octylsulfonylnaphthalene-1-sulfonamide;2-(4-methylphenyl)-4H-imidazole;pyridine-3-carboxylate;N-(trifluoromethylsulfonyl)pyridine-3-carboxamide;tetrakis(triphenylsulfanium) has a molecular weight of 2784.50 g/mol, XLogP of not available, 42 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-octylsulfonylbenzenesulfonamide;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;5-(dimethylamino)-N-octylsulfonylnaphthalene-1-sulfonamide;2-(4-methylphenyl)-4H-imidazole;pyridine-3-carboxylate;N-(trifluoromethylsulfonyl)pyridine-3-carboxamide;tetrakis(triphenylsulfanium) is sourced from PubChem (CID 161984062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).