dipotassium;sodium;benzenesulfonamide;N-(benzenesulfonyl)-6-chloro-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-2,6-dichloropyridine-3-carboxamide;N-(benzenesulfonyl)-6-[5-fluoro-3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;2,6-dichloropyridine-3-carboxylic acid;5-fluoro-3-[2-(1-methylcyclopropyl)ethoxy]-1H-pyrazole;hydride;methane;oxido formate;scandium;sulfane;tris(trifluoromethanesulfonic acid);(4S)-2,2,4-trimethylpyrrolidine;dihydrochloride

C92H120Cl7F11K2N15NaO27S10Sc — CID 157141765

About dipotassium;sodium;benzenesulfonamide;N-(benzenesulfonyl)-6-chloro-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-2,6-dichloropyridine-3-carboxamide;N-(benzenesulfonyl)-6-[5-fluoro-3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;2,6-dichloropyridine-3-carboxylic acid;5-fluoro-3-[2-(1-methylcyclopropyl)ethoxy]-1H-pyrazole;hydride;methane;oxido formate;scandium;sulfane;tris(trifluoromethanesulfonic acid);(4S)-2,2,4-trimethylpyrrolidine;dihydrochloride

dipotassium;sodium;benzenesulfonamide;N-(benzenesulfonyl)-6-chloro-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-2,6-dichloropyridine-3-carboxamide;N-(benzenesulfonyl)-6-[5-fluoro-3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;2,6-dichloropyridine-3-carboxylic acid;5-fluoro-3-[2-(1-methylcyclopropyl)ethoxy]-1H-pyrazole;hydride;methane;oxido formate;scandium;sulfane;tris(trifluoromethanesulfonic acid);(4S)-2,2,4-trimethylpyrrolidine;dihydrochloride (PubChem CID 157141765) has the molecular formula C92H120Cl7F11K2N15NaO27S10Sc and a molecular weight of 2792.01 g/mol. Its IUPAC name is dipotassium;sodium;benzenesulfonamide;N-(benzenesulfonyl)-6-chloro-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-2,6-dichloropyridine-3-carboxamide;N-(benzenesulfonyl)-6-[5-fluoro-3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;2,6-dichloropyridine-3-carboxylic acid;5-fluoro-3-[2-(1-methylcyclopropyl)ethoxy]-1H-pyrazole;hydride;methane;oxido formate;scandium;sulfane;tris(trifluoromethanesulfonic acid);(4S)-2,2,4-trimethylpyrrolidine;dihydrochloride.

Molecular Properties

• Compound Name: dipotassium;sodium;benzenesulfonamide;N-(benzenesulfonyl)-6-chloro-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-2,6-dichloropyridine-3-carboxamide;N-(benzenesulfonyl)-6-[5-fluoro-3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;2,6-dichloropyridine-3-carboxylic acid;5-fluoro-3-[2-(1-methylcyclopropyl)ethoxy]-1H-pyrazole;hydride;methane;oxido formate;scandium;sulfane;tris(trifluoromethanesulfonic acid);(4S)-2,2,4-trimethylpyrrolidine;dihydrochloride
• PubChem CID: 157141765
• Molecular Formula: C92H120Cl7F11K2N15NaO27S10Sc
• Molecular Weight: 2792.01 g/mol
• Exact Mass: 2786.21
• IUPAC Name: dipotassium;sodium;benzenesulfonamide;N-(benzenesulfonyl)-6-chloro-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-2,6-dichloropyridine-3-carboxamide;N-(benzenesulfonyl)-6-[5-fluoro-3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;2,6-dichloropyridine-3-carboxylic acid;5-fluoro-3-[2-(1-methylcyclopropyl)ethoxy]-1H-pyrazole;hydride;methane;oxido formate;scandium;sulfane;tris(trifluoromethanesulfonic acid);(4S)-2,2,4-trimethylpyrrolidine;dihydrochloride
• SMILES: C.CC1(CCOc2cc(F)[nH]n2)CC1.C[C@@H]1CN(c2nc(-n3nc(OCCC4(C)CC4)cc3F)ccc2C(=O)NS(=O)(=O)c2ccccc2)C(C)(C)C1.C[C@@H]1CN(c2nc(Cl)ccc2C(=O)NS(=O)(=O)c2ccccc2)C(C)(C)C1.C[C@@H]1CNC(C)(C)C1.Cl.Cl.NS(=O)(=O)c1ccccc1.O=C(NS(=O)(=O)c1ccccc1)c1ccc(Cl)nc1Cl.O=C(O)c1ccc(Cl)nc1Cl.O=CO[O-].O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.S.S.S.[H-].[H-].[K+].[K+].[Na+].[Sc]
• InChI: InChI=1S/C28H34FN5O4S.C19H22ClN3O3S.C12H8Cl2N2O3S.C9H13FN2O.C7H15N.C6H3Cl2NO2.C6H7NO2S.3CHF3O3S.CH2O3.CH4.2ClH.2K.Na.3H2S.Sc.2H/c1-19-17-27(2,3)33(18-19)25-21(26(35)32-39(36,37)20-8-6-5-7-9-20)10-11-23(30-25)34-22(29)16-24(31-34)38-15-14-28(4)12-13-28;1-13-11-19(2,3)23(12-13)17-15(9-10-16(20)21-17)18(24)22-27(25,26)14-7-5-4-6-8-14;13-10-7-6-9(11(14)15-10)12(17)16-20(18,19)8-4-2-1-3-5-8;1-9(2-3-9)4-5-13-8-6-7(10)11-12-8;1-6-4-7(2,3)8-5-6;7-4-2-1-3(6(10)11)5(8)9-4;7-10(8,9)6-4-2-1-3-5-6;3*2-1(3,4)8(5,6)7;2-1-4-3;;;;;;;;;;;;/h5-11,16,19H,12-15,17-18H2,1-4H3,(H,32,35);4-10,13H,11-12H2,1-3H3,(H,22,24);1-7H,(H,16,17);6H,2-5H2,1H3,(H,11,12);6,8H,4-5H2,1-3H3;1-2H,(H,10,11);1-5H,(H2,7,8,9);3*(H,5,6,7);1,3H;1H4;2*1H;;;;3*1H2;;;/q;;;;;;;;;;;;;;3*+1;;;;;2*-1/p-1/t19-;13-;;;6-;;;;;;;;;;;;;;;;;;/m00..0................../s1
• InChIKey: ZKBLLGUAZOLRPU-JPYHZOEQSA-M
• XLogP: 9.31
• TPSA: 634.68 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 33
• Rotatable Bonds: 23
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2792.01
LogP ≤ 5	9.31
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dipotassium;sodium;benzenesulfonamide;N-(benzenesulfonyl)-6-chloro-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-2,6-dichloropyridine-3-carboxamide;N-(benzenesulfonyl)-6-[5-fluoro-3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;2,6-dichloropyridine-3-carboxylic acid;5-fluoro-3-[2-(1-methylcyclopropyl)ethoxy]-1H-pyrazole;hydride;methane;oxido formate;scandium;sulfane;tris(trifluoromethanesulfonic acid);(4S)-2,2,4-trimethylpyrrolidine;dihydrochloride?

The IUPAC name of dipotassium;sodium;benzenesulfonamide;N-(benzenesulfonyl)-6-chloro-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-2,6-dichloropyridine-3-carboxamide;N-(benzenesulfonyl)-6-[5-fluoro-3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;2,6-dichloropyridine-3-carboxylic acid;5-fluoro-3-[2-(1-methylcyclopropyl)ethoxy]-1H-pyrazole;hydride;methane;oxido formate;scandium;sulfane;tris(trifluoromethanesulfonic acid);(4S)-2,2,4-trimethylpyrrolidine;dihydrochloride (CID 157141765) is dipotassium;sodium;benzenesulfonamide;N-(benzenesulfonyl)-6-chloro-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-2,6-dichloropyridine-3-carboxamide;N-(benzenesulfonyl)-6-[5-fluoro-3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;2,6-dichloropyridine-3-carboxylic acid;5-fluoro-3-[2-(1-methylcyclopropyl)ethoxy]-1H-pyrazole;hydride;methane;oxido formate;scandium;sulfane;tris(trifluoromethanesulfonic acid);(4S)-2,2,4-trimethylpyrrolidine;dihydrochloride.

What is the SMILES notation for dipotassium;sodium;benzenesulfonamide;N-(benzenesulfonyl)-6-chloro-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-2,6-dichloropyridine-3-carboxamide;N-(benzenesulfonyl)-6-[5-fluoro-3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;2,6-dichloropyridine-3-carboxylic acid;5-fluoro-3-[2-(1-methylcyclopropyl)ethoxy]-1H-pyrazole;hydride;methane;oxido formate;scandium;sulfane;tris(trifluoromethanesulfonic acid);(4S)-2,2,4-trimethylpyrrolidine;dihydrochloride?

The canonical SMILES for dipotassium;sodium;benzenesulfonamide;N-(benzenesulfonyl)-6-chloro-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-2,6-dichloropyridine-3-carboxamide;N-(benzenesulfonyl)-6-[5-fluoro-3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;2,6-dichloropyridine-3-carboxylic acid;5-fluoro-3-[2-(1-methylcyclopropyl)ethoxy]-1H-pyrazole;hydride;methane;oxido formate;scandium;sulfane;tris(trifluoromethanesulfonic acid);(4S)-2,2,4-trimethylpyrrolidine;dihydrochloride is C.CC1(CCOc2cc(F)[nH]n2)CC1.C[C@@H]1CN(c2nc(-n3nc(OCCC4(C)CC4)cc3F)ccc2C(=O)NS(=O)(=O)c2ccccc2)C(C)(C)C1.C[C@@H]1CN(c2nc(Cl)ccc2C(=O)NS(=O)(=O)c2ccccc2)C(C)(C)C1.C[C@@H]1CNC(C)(C)C1.Cl.Cl.NS(=O)(=O)c1ccccc1.O=C(NS(=O)(=O)c1ccccc1)c1ccc(Cl)nc1Cl.O=C(O)c1ccc(Cl)nc1Cl.O=CO[O-].O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.S.S.S.[H-].[H-].[K+].[K+].[Na+].[Sc].

What is the InChIKey of dipotassium;sodium;benzenesulfonamide;N-(benzenesulfonyl)-6-chloro-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-2,6-dichloropyridine-3-carboxamide;N-(benzenesulfonyl)-6-[5-fluoro-3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;2,6-dichloropyridine-3-carboxylic acid;5-fluoro-3-[2-(1-methylcyclopropyl)ethoxy]-1H-pyrazole;hydride;methane;oxido formate;scandium;sulfane;tris(trifluoromethanesulfonic acid);(4S)-2,2,4-trimethylpyrrolidine;dihydrochloride?

The InChIKey is ZKBLLGUAZOLRPU-JPYHZOEQSA-M. The full InChI is InChI=1S/C28H34FN5O4S.C19H22ClN3O3S.C12H8Cl2N2O3S.C9H13FN2O.C7H15N.C6H3Cl2NO2.C6H7NO2S.3CHF3O3S.CH2O3.CH4.2ClH.2K.Na.3H2S.Sc.2H/c1-19-17-27(2,3)33(18-19)25-21(26(35)32-39(36,37)20-8-6-5-7-9-20)10-11-23(30-25)34-22(29)16-24(31-34)38-15-14-28(4)12-13-28;1-13-11-19(2,3)23(12-13)17-15(9-10-16(20)21-17)18(24)22-27(25,26)14-7-5-4-6-8-14;13-10-7-6-9(11(14)15-10)12(17)16-20(18,19)8-4-2-1-3-5-8;1-9(2-3-9)4-5-13-8-6-7(10)11-12-8;1-6-4-7(2,3)8-5-6;7-4-2-1-3(6(10)11)5(8)9-4;7-10(8,9)6-4-2-1-3-5-6;3*2-1(3,4)8(5,6)7;2-1-4-3;;;;;;;;;;;;/h5-11,16,19H,12-15,17-18H2,1-4H3,(H,32,35);4-10,13H,11-12H2,1-3H3,(H,22,24);1-7H,(H,16,17);6H,2-5H2,1H3,(H,11,12);6,8H,4-5H2,1-3H3;1-2H,(H,10,11);1-5H,(H2,7,8,9);3*(H,5,6,7);1,3H;1H4;2*1H;;;;3*1H2;;;/q;;;;;;;;;;;;;;3*+1;;;;;2*-1/p-1/t19-;13-;;;6-;;;;;;;;;;;;;;;;;;/m00..0................../s1.

What are the key properties of dipotassium;sodium;benzenesulfonamide;N-(benzenesulfonyl)-6-chloro-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-2,6-dichloropyridine-3-carboxamide;N-(benzenesulfonyl)-6-[5-fluoro-3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;2,6-dichloropyridine-3-carboxylic acid;5-fluoro-3-[2-(1-methylcyclopropyl)ethoxy]-1H-pyrazole;hydride;methane;oxido formate;scandium;sulfane;tris(trifluoromethanesulfonic acid);(4S)-2,2,4-trimethylpyrrolidine;dihydrochloride?

dipotassium;sodium;benzenesulfonamide;N-(benzenesulfonyl)-6-chloro-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-2,6-dichloropyridine-3-carboxamide;N-(benzenesulfonyl)-6-[5-fluoro-3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;2,6-dichloropyridine-3-carboxylic acid;5-fluoro-3-[2-(1-methylcyclopropyl)ethoxy]-1H-pyrazole;hydride;methane;oxido formate;scandium;sulfane;tris(trifluoromethanesulfonic acid);(4S)-2,2,4-trimethylpyrrolidine;dihydrochloride has a molecular weight of 2792.01 g/mol, XLogP of 9.31, 23 rotatable bonds, 10 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;sodium;benzenesulfonamide;N-(benzenesulfonyl)-6-chloro-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-2,6-dichloropyridine-3-carboxamide;N-(benzenesulfonyl)-6-[5-fluoro-3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;2,6-dichloropyridine-3-carboxylic acid;5-fluoro-3-[2-(1-methylcyclopropyl)ethoxy]-1H-pyrazole;hydride;methane;oxido formate;scandium;sulfane;tris(trifluoromethanesulfonic acid);(4S)-2,2,4-trimethylpyrrolidine;dihydrochloride is sourced from PubChem (CID 157141765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).