sodium;N-(10-aminodecyl)-5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide;4-(aminomethyl)benzenesulfonamide;(2,5-dioxopyrrolidin-1-yl) 2-[[2-[[2-[(2-acetylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetate;hydron;methane;methyl 4-hydroxy-4-(4-methylphenyl)-2-oxobut-3-enoate;4-[3-methyl-5-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide;methyl 5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate;5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid;hydroxide

C113H132N20NaO28S6+ — CID 160860846

About sodium;N-(10-aminodecyl)-5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide;4-(aminomethyl)benzenesulfonamide;(2,5-dioxopyrrolidin-1-yl) 2-[[2-[[2-[(2-acetylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetate;hydron;methane;methyl 4-hydroxy-4-(4-methylphenyl)-2-oxobut-3-enoate;4-[3-methyl-5-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide;methyl 5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate;5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid;hydroxide

sodium;N-(10-aminodecyl)-5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide;4-(aminomethyl)benzenesulfonamide;(2,5-dioxopyrrolidin-1-yl) 2-[[2-[[2-[(2-acetylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetate;hydron;methane;methyl 4-hydroxy-4-(4-methylphenyl)-2-oxobut-3-enoate;4-[3-methyl-5-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide;methyl 5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate;5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid;hydroxide (PubChem CID 160860846) has the molecular formula C113H132N20NaO28S6+ and a molecular weight of 2433.80 g/mol. Its IUPAC name is sodium;N-(10-aminodecyl)-5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide;4-(aminomethyl)benzenesulfonamide;(2,5-dioxopyrrolidin-1-yl) 2-[[2-[[2-[(2-acetylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetate;hydron;methane;methyl 4-hydroxy-4-(4-methylphenyl)-2-oxobut-3-enoate;4-[3-methyl-5-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide;methyl 5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate;5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid;hydroxide.

Molecular Properties

• Compound Name: sodium;N-(10-aminodecyl)-5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide;4-(aminomethyl)benzenesulfonamide;(2,5-dioxopyrrolidin-1-yl) 2-[[2-[[2-[(2-acetylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetate;hydron;methane;methyl 4-hydroxy-4-(4-methylphenyl)-2-oxobut-3-enoate;4-[3-methyl-5-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide;methyl 5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate;5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid;hydroxide
• PubChem CID: 160860846
• Molecular Formula: C113H132N20NaO28S6+
• Molecular Weight: 2433.80 g/mol
• Exact Mass: 2431.77
• IUPAC Name: sodium;N-(10-aminodecyl)-5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide;4-(aminomethyl)benzenesulfonamide;(2,5-dioxopyrrolidin-1-yl) 2-[[2-[[2-[(2-acetylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetate;hydron;methane;methyl 4-hydroxy-4-(4-methylphenyl)-2-oxobut-3-enoate;4-[3-methyl-5-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide;methyl 5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate;5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid;hydroxide
• SMILES: C.CC(=O)SCC(=O)NCC(=O)NCC(=O)NCC(=O)ON1C(=O)CCC1=O.COC(=O)C(=O)C=C(O)c1ccc(C)cc1.COC(=O)c1cc(-c2ccc(C)cc2)n(-c2ccc(S(N)(=O)=O)cc2)n1.Cc1ccc(-c2cc(C(=O)NCCCCCCCCCCN)nn2-c2ccc(S(N)(=O)=O)cc2)cc1.Cc1ccc(-c2cc(C(=O)O)nn2-c2ccc(S(N)(=O)=O)cc2)cc1.Cc1ccc(-c2cc(C)nn2-c2ccc(S(N)(=O)=O)cc2)cc1.NCc1ccc(S(N)(=O)=O)cc1.[H+].[Na+].[OH-]
• InChI: InChI=1S/C27H37N5O3S.C18H17N3O4S.C17H15N3O4S.C17H17N3O2S.C14H18N4O8S.C12H12O4.C7H10N2O2S.CH4.Na.H2O/c1-21-10-12-22(13-11-21)26-20-25(27(33)30-19-9-7-5-3-2-4-6-8-18-28)31-32(26)23-14-16-24(17-15-23)36(29,34)35;1-12-3-5-13(6-4-12)17-11-16(18(22)25-2)20-21(17)14-7-9-15(10-8-14)26(19,23)24;1-11-2-4-12(5-3-11)16-10-15(17(21)22)19-20(16)13-6-8-14(9-7-13)25(18,23)24;1-12-3-5-14(6-4-12)17-11-13(2)19-20(17)15-7-9-16(10-8-15)23(18,21)22;1-8(19)27-7-11(22)16-5-9(20)15-4-10(21)17-6-14(25)26-18-12(23)2-3-13(18)24;1-8-3-5-9(6-4-8)10(13)7-11(14)12(15)16-2;8-5-6-1-3-7(4-2-6)12(9,10)11;;;/h10-17,20H,2-9,18-19,28H2,1H3,(H,30,33)(H2,29,34,35);3-11H,1-2H3,(H2,19,23,24);2-10H,1H3,(H,21,22)(H2,18,23,24);3-11H,1-2H3,(H2,18,21,22);2-7H2,1H3,(H,15,20)(H,16,22)(H,17,21);3-7,13H,1-2H3;1-4H,5,8H2,(H2,9,10,11);1H4;;1H2/q;;;;;;;;+1
• InChIKey: QHQOEJWGDDGECG-UHFFFAOYSA-N
• XLogP: 7.81
• TPSA: 778.47 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 38
• Rotatable Bonds: 39
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2433.80
LogP ≤ 5	7.81
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;N-(10-aminodecyl)-5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide;4-(aminomethyl)benzenesulfonamide;(2,5-dioxopyrrolidin-1-yl) 2-[[2-[[2-[(2-acetylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetate;hydron;methane;methyl 4-hydroxy-4-(4-methylphenyl)-2-oxobut-3-enoate;4-[3-methyl-5-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide;methyl 5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate;5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid;hydroxide?

The IUPAC name of sodium;N-(10-aminodecyl)-5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide;4-(aminomethyl)benzenesulfonamide;(2,5-dioxopyrrolidin-1-yl) 2-[[2-[[2-[(2-acetylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetate;hydron;methane;methyl 4-hydroxy-4-(4-methylphenyl)-2-oxobut-3-enoate;4-[3-methyl-5-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide;methyl 5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate;5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid;hydroxide (CID 160860846) is sodium;N-(10-aminodecyl)-5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide;4-(aminomethyl)benzenesulfonamide;(2,5-dioxopyrrolidin-1-yl) 2-[[2-[[2-[(2-acetylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetate;hydron;methane;methyl 4-hydroxy-4-(4-methylphenyl)-2-oxobut-3-enoate;4-[3-methyl-5-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide;methyl 5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate;5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid;hydroxide.

What is the SMILES notation for sodium;N-(10-aminodecyl)-5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide;4-(aminomethyl)benzenesulfonamide;(2,5-dioxopyrrolidin-1-yl) 2-[[2-[[2-[(2-acetylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetate;hydron;methane;methyl 4-hydroxy-4-(4-methylphenyl)-2-oxobut-3-enoate;4-[3-methyl-5-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide;methyl 5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate;5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid;hydroxide?

The canonical SMILES for sodium;N-(10-aminodecyl)-5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide;4-(aminomethyl)benzenesulfonamide;(2,5-dioxopyrrolidin-1-yl) 2-[[2-[[2-[(2-acetylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetate;hydron;methane;methyl 4-hydroxy-4-(4-methylphenyl)-2-oxobut-3-enoate;4-[3-methyl-5-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide;methyl 5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate;5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid;hydroxide is C.CC(=O)SCC(=O)NCC(=O)NCC(=O)NCC(=O)ON1C(=O)CCC1=O.COC(=O)C(=O)C=C(O)c1ccc(C)cc1.COC(=O)c1cc(-c2ccc(C)cc2)n(-c2ccc(S(N)(=O)=O)cc2)n1.Cc1ccc(-c2cc(C(=O)NCCCCCCCCCCN)nn2-c2ccc(S(N)(=O)=O)cc2)cc1.Cc1ccc(-c2cc(C(=O)O)nn2-c2ccc(S(N)(=O)=O)cc2)cc1.Cc1ccc(-c2cc(C)nn2-c2ccc(S(N)(=O)=O)cc2)cc1.NCc1ccc(S(N)(=O)=O)cc1.[H+].[Na+].[OH-].

What is the InChIKey of sodium;N-(10-aminodecyl)-5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide;4-(aminomethyl)benzenesulfonamide;(2,5-dioxopyrrolidin-1-yl) 2-[[2-[[2-[(2-acetylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetate;hydron;methane;methyl 4-hydroxy-4-(4-methylphenyl)-2-oxobut-3-enoate;4-[3-methyl-5-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide;methyl 5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate;5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid;hydroxide?

The InChIKey is QHQOEJWGDDGECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N5O3S.C18H17N3O4S.C17H15N3O4S.C17H17N3O2S.C14H18N4O8S.C12H12O4.C7H10N2O2S.CH4.Na.H2O/c1-21-10-12-22(13-11-21)26-20-25(27(33)30-19-9-7-5-3-2-4-6-8-18-28)31-32(26)23-14-16-24(17-15-23)36(29,34)35;1-12-3-5-13(6-4-12)17-11-16(18(22)25-2)20-21(17)14-7-9-15(10-8-14)26(19,23)24;1-11-2-4-12(5-3-11)16-10-15(17(21)22)19-20(16)13-6-8-14(9-7-13)25(18,23)24;1-12-3-5-14(6-4-12)17-11-13(2)19-20(17)15-7-9-16(10-8-15)23(18,21)22;1-8(19)27-7-11(22)16-5-9(20)15-4-10(21)17-6-14(25)26-18-12(23)2-3-13(18)24;1-8-3-5-9(6-4-8)10(13)7-11(14)12(15)16-2;8-5-6-1-3-7(4-2-6)12(9,10)11;;;/h10-17,20H,2-9,18-19,28H2,1H3,(H,30,33)(H2,29,34,35);3-11H,1-2H3,(H2,19,23,24);2-10H,1H3,(H,21,22)(H2,18,23,24);3-11H,1-2H3,(H2,18,21,22);2-7H2,1H3,(H,15,20)(H,16,22)(H,17,21);3-7,13H,1-2H3;1-4H,5,8H2,(H2,9,10,11);1H4;;1H2/q;;;;;;;;+1;.

What are the key properties of sodium;N-(10-aminodecyl)-5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide;4-(aminomethyl)benzenesulfonamide;(2,5-dioxopyrrolidin-1-yl) 2-[[2-[[2-[(2-acetylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetate;hydron;methane;methyl 4-hydroxy-4-(4-methylphenyl)-2-oxobut-3-enoate;4-[3-methyl-5-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide;methyl 5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate;5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid;hydroxide?

sodium;N-(10-aminodecyl)-5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide;4-(aminomethyl)benzenesulfonamide;(2,5-dioxopyrrolidin-1-yl) 2-[[2-[[2-[(2-acetylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetate;hydron;methane;methyl 4-hydroxy-4-(4-methylphenyl)-2-oxobut-3-enoate;4-[3-methyl-5-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide;methyl 5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate;5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid;hydroxide has a molecular weight of 2433.80 g/mol, XLogP of 7.81, 39 rotatable bonds, 13 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;N-(10-aminodecyl)-5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide;4-(aminomethyl)benzenesulfonamide;(2,5-dioxopyrrolidin-1-yl) 2-[[2-[[2-[(2-acetylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetate;hydron;methane;methyl 4-hydroxy-4-(4-methylphenyl)-2-oxobut-3-enoate;4-[3-methyl-5-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide;methyl 5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate;5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid;hydroxide is sourced from PubChem (CID 160860846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).