2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxamide;2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxylic acid;6-[3-cyano-1-(4,6-difluoro-2-pyridinyl)-5-fluoro-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-ethyl-5-fluoro-1-(4-fluorophenyl)indol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-methyl-1-(3-methylthiophen-2-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide

C123H117F17N20O13S6 — CID 159918352

About 2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxamide;2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxylic acid;6-[3-cyano-1-(4,6-difluoro-2-pyridinyl)-5-fluoro-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-ethyl-5-fluoro-1-(4-fluorophenyl)indol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-methyl-1-(3-methylthiophen-2-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide

2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxamide;2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxylic acid;6-[3-cyano-1-(4,6-difluoro-2-pyridinyl)-5-fluoro-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-ethyl-5-fluoro-1-(4-fluorophenyl)indol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-methyl-1-(3-methylthiophen-2-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (PubChem CID 159918352) has the molecular formula C123H117F17N20O13S6 and a molecular weight of 2598.78 g/mol. Its IUPAC name is 2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxamide;2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxylic acid;6-[3-cyano-1-(4,6-difluoro-2-pyridinyl)-5-fluoro-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-ethyl-5-fluoro-1-(4-fluorophenyl)indol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-methyl-1-(3-methylthiophen-2-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide.

Molecular Properties

• Compound Name: 2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxamide;2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxylic acid;6-[3-cyano-1-(4,6-difluoro-2-pyridinyl)-5-fluoro-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-ethyl-5-fluoro-1-(4-fluorophenyl)indol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-methyl-1-(3-methylthiophen-2-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
• PubChem CID: 159918352
• Molecular Formula: C123H117F17N20O13S6
• Molecular Weight: 2598.78 g/mol
• Exact Mass: 2596.72
• IUPAC Name: 2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxamide;2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxylic acid;6-[3-cyano-1-(4,6-difluoro-2-pyridinyl)-5-fluoro-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-ethyl-5-fluoro-1-(4-fluorophenyl)indol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-methyl-1-(3-methylthiophen-2-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
• SMILES: CCc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)NC(C)C(F)(F)F)cn1)n2-c1ccc(F)cc1.CCc1cc2c(cc1F)c(C(=O)O)c(-c1ccc(NS(=O)(=O)C(C)(C)C)cn1)n2C1CCCCC1.CCc1cc2c(cc1F)c(C(N)=O)c(-c1ccc(NS(=O)(=O)C(C)(C)C)cn1)n2C1CCCCC1.Cc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1cc(F)cc(F)n1.Cc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1sccc1C
• InChI: InChI=1S/C26H33FN4O3S.C26H32FN3O4S.C25H19F5N4O2S.C23H15F6N5O2S.C23H18F4N4O2S2/c1-5-16-13-22-19(14-20(16)27)23(25(28)32)24(31(22)18-9-7-6-8-10-18)21-12-11-17(15-29-21)30-35(33,34)26(2,3)4;1-5-16-13-22-19(14-20(16)27)23(25(31)32)24(30(22)18-9-7-6-8-10-18)21-12-11-17(15-28-21)29-35(33,34)26(2,3)4;1-3-15-10-23-19(11-21(15)27)20(12-31)24(34(23)17-6-4-16(26)5-7-17)22-9-8-18(13-32-22)37(35,36)33-14(2)25(28,29)30;1-11-5-19-15(8-17(11)25)16(9-30)22(34(19)21-7-13(24)6-20(26)32-21)18-4-3-14(10-31-18)37(35,36)33-12(2)23(27,28)29;1-12-6-7-34-22(12)31-20-8-13(2)18(24)9-16(20)17(10-28)21(31)19-5-4-15(11-29-19)35(32,33)30-14(3)23(25,26)27/h11-15,18,30H,5-10H2,1-4H3,(H2,28,32);11-15,18,29H,5-10H2,1-4H3,(H,31,32);4-11,13-14,33H,3H2,1-2H3;3-8,10,12,33H,1-2H3;4-9,11,14,30H,1-3H3/t;;;12-;14-/m...00/s1
• InChIKey: NYBQQMUIGAXTTH-ADQHEGNBSA-N
• XLogP: 27.86
• TPSA: 484.60 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 27
• Rotatable Bonds: 28
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2598.78
LogP ≤ 5	27.86
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxamide;2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxylic acid;6-[3-cyano-1-(4,6-difluoro-2-pyridinyl)-5-fluoro-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-ethyl-5-fluoro-1-(4-fluorophenyl)indol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-methyl-1-(3-methylthiophen-2-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?

The IUPAC name of 2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxamide;2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxylic acid;6-[3-cyano-1-(4,6-difluoro-2-pyridinyl)-5-fluoro-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-ethyl-5-fluoro-1-(4-fluorophenyl)indol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-methyl-1-(3-methylthiophen-2-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (CID 159918352) is 2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxamide;2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxylic acid;6-[3-cyano-1-(4,6-difluoro-2-pyridinyl)-5-fluoro-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-ethyl-5-fluoro-1-(4-fluorophenyl)indol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-methyl-1-(3-methylthiophen-2-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide.

What is the SMILES notation for 2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxamide;2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxylic acid;6-[3-cyano-1-(4,6-difluoro-2-pyridinyl)-5-fluoro-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-ethyl-5-fluoro-1-(4-fluorophenyl)indol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-methyl-1-(3-methylthiophen-2-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?

The canonical SMILES for 2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxamide;2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxylic acid;6-[3-cyano-1-(4,6-difluoro-2-pyridinyl)-5-fluoro-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-ethyl-5-fluoro-1-(4-fluorophenyl)indol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-methyl-1-(3-methylthiophen-2-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is CCc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)NC(C)C(F)(F)F)cn1)n2-c1ccc(F)cc1.CCc1cc2c(cc1F)c(C(=O)O)c(-c1ccc(NS(=O)(=O)C(C)(C)C)cn1)n2C1CCCCC1.CCc1cc2c(cc1F)c(C(N)=O)c(-c1ccc(NS(=O)(=O)C(C)(C)C)cn1)n2C1CCCCC1.Cc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1cc(F)cc(F)n1.Cc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1sccc1C.

What is the InChIKey of 2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxamide;2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxylic acid;6-[3-cyano-1-(4,6-difluoro-2-pyridinyl)-5-fluoro-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-ethyl-5-fluoro-1-(4-fluorophenyl)indol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-methyl-1-(3-methylthiophen-2-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?

The InChIKey is NYBQQMUIGAXTTH-ADQHEGNBSA-N. The full InChI is InChI=1S/C26H33FN4O3S.C26H32FN3O4S.C25H19F5N4O2S.C23H15F6N5O2S.C23H18F4N4O2S2/c1-5-16-13-22-19(14-20(16)27)23(25(28)32)24(31(22)18-9-7-6-8-10-18)21-12-11-17(15-29-21)30-35(33,34)26(2,3)4;1-5-16-13-22-19(14-20(16)27)23(25(31)32)24(30(22)18-9-7-6-8-10-18)21-12-11-17(15-28-21)29-35(33,34)26(2,3)4;1-3-15-10-23-19(11-21(15)27)20(12-31)24(34(23)17-6-4-16(26)5-7-17)22-9-8-18(13-32-22)37(35,36)33-14(2)25(28,29)30;1-11-5-19-15(8-17(11)25)16(9-30)22(34(19)21-7-13(24)6-20(26)32-21)18-4-3-14(10-31-18)37(35,36)33-12(2)23(27,28)29;1-12-6-7-34-22(12)31-20-8-13(2)18(24)9-16(20)17(10-28)21(31)19-5-4-15(11-29-19)35(32,33)30-14(3)23(25,26)27/h11-15,18,30H,5-10H2,1-4H3,(H2,28,32);11-15,18,29H,5-10H2,1-4H3,(H,31,32);4-11,13-14,33H,3H2,1-2H3;3-8,10,12,33H,1-2H3;4-9,11,14,30H,1-3H3/t;;;12-;14-/m...00/s1.

What are the key properties of 2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxamide;2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxylic acid;6-[3-cyano-1-(4,6-difluoro-2-pyridinyl)-5-fluoro-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-ethyl-5-fluoro-1-(4-fluorophenyl)indol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-methyl-1-(3-methylthiophen-2-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?

2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxamide;2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxylic acid;6-[3-cyano-1-(4,6-difluoro-2-pyridinyl)-5-fluoro-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-ethyl-5-fluoro-1-(4-fluorophenyl)indol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-methyl-1-(3-methylthiophen-2-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide has a molecular weight of 2598.78 g/mol, XLogP of 27.86, 28 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxamide;2-[5-(tert-butylsulfonylamino)-2-pyridinyl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxylic acid;6-[3-cyano-1-(4,6-difluoro-2-pyridinyl)-5-fluoro-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-ethyl-5-fluoro-1-(4-fluorophenyl)indol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-methyl-1-(3-methylthiophen-2-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 159918352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).