2-[6-(tert-butylsulfonylamino)-3-pyridinyl]-1-cyclohexyl-6-(difluoromethoxy)-5-fluoroindole-3-carboxamide;2-[6-(tert-butylsulfonylamino)-3-pyridinyl]-1-cyclohexyl-6-(difluoromethoxy)-5-fluoroindole-3-carboxylic acid;6-[1-(3-chloro-4-fluorophenyl)-3-cyano-6-ethyl-5-fluoroindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(3,4-difluorophenyl)-6-ethyl-5-fluoroindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[1-(5-cyanofuran-2-yl)-5-fluoro-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide

C122H109ClF21N19O16S5 — CID 158255847

About 2-[6-(tert-butylsulfonylamino)-3-pyridinyl]-1-cyclohexyl-6-(difluoromethoxy)-5-fluoroindole-3-carboxamide;2-[6-(tert-butylsulfonylamino)-3-pyridinyl]-1-cyclohexyl-6-(difluoromethoxy)-5-fluoroindole-3-carboxylic acid;6-[1-(3-chloro-4-fluorophenyl)-3-cyano-6-ethyl-5-fluoroindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(3,4-difluorophenyl)-6-ethyl-5-fluoroindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[1-(5-cyanofuran-2-yl)-5-fluoro-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide

2-[6-(tert-butylsulfonylamino)-3-pyridinyl]-1-cyclohexyl-6-(difluoromethoxy)-5-fluoroindole-3-carboxamide;2-[6-(tert-butylsulfonylamino)-3-pyridinyl]-1-cyclohexyl-6-(difluoromethoxy)-5-fluoroindole-3-carboxylic acid;6-[1-(3-chloro-4-fluorophenyl)-3-cyano-6-ethyl-5-fluoroindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(3,4-difluorophenyl)-6-ethyl-5-fluoroindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[1-(5-cyanofuran-2-yl)-5-fluoro-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (PubChem CID 158255847) has the molecular formula C122H109ClF21N19O16S5 and a molecular weight of 2692.08 g/mol. Its IUPAC name is 2-[6-(tert-butylsulfonylamino)-3-pyridinyl]-1-cyclohexyl-6-(difluoromethoxy)-5-fluoroindole-3-carboxamide;2-[6-(tert-butylsulfonylamino)-3-pyridinyl]-1-cyclohexyl-6-(difluoromethoxy)-5-fluoroindole-3-carboxylic acid;6-[1-(3-chloro-4-fluorophenyl)-3-cyano-6-ethyl-5-fluoroindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(3,4-difluorophenyl)-6-ethyl-5-fluoroindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[1-(5-cyanofuran-2-yl)-5-fluoro-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide.

Molecular Properties

• Compound Name: 2-[6-(tert-butylsulfonylamino)-3-pyridinyl]-1-cyclohexyl-6-(difluoromethoxy)-5-fluoroindole-3-carboxamide;2-[6-(tert-butylsulfonylamino)-3-pyridinyl]-1-cyclohexyl-6-(difluoromethoxy)-5-fluoroindole-3-carboxylic acid;6-[1-(3-chloro-4-fluorophenyl)-3-cyano-6-ethyl-5-fluoroindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(3,4-difluorophenyl)-6-ethyl-5-fluoroindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[1-(5-cyanofuran-2-yl)-5-fluoro-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
• PubChem CID: 158255847
• Molecular Formula: C122H109ClF21N19O16S5
• Molecular Weight: 2692.08 g/mol
• Exact Mass: 2689.63
• IUPAC Name: 2-[6-(tert-butylsulfonylamino)-3-pyridinyl]-1-cyclohexyl-6-(difluoromethoxy)-5-fluoroindole-3-carboxamide;2-[6-(tert-butylsulfonylamino)-3-pyridinyl]-1-cyclohexyl-6-(difluoromethoxy)-5-fluoroindole-3-carboxylic acid;6-[1-(3-chloro-4-fluorophenyl)-3-cyano-6-ethyl-5-fluoroindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(3,4-difluorophenyl)-6-ethyl-5-fluoroindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[1-(5-cyanofuran-2-yl)-5-fluoro-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
• SMILES: CC(C)(C)S(=O)(=O)Nc1ccc(-c2c(C(=O)O)c3cc(F)c(OC(F)F)cc3n2C2CCCCC2)cn1.CC(C)(C)S(=O)(=O)Nc1ccc(-c2c(C(N)=O)c3cc(F)c(OC(F)F)cc3n2C2CCCCC2)cn1.CCc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1ccc(F)c(Cl)c1.CCc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1ccc(F)c(F)c1.Cc1cc2c(cc1F)cc(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1ccc(C#N)o1
• InChI: InChI=1S/C25H18ClF5N4O2S.C25H18F6N4O2S.C25H29F3N4O4S.C25H28F3N3O5S.C22H16F4N4O3S/c1-3-14-8-23-17(10-21(14)28)18(11-32)24(35(23)15-4-6-20(27)19(26)9-15)22-7-5-16(12-33-22)38(36,37)34-13(2)25(29,30)31;1-3-14-8-23-17(10-20(14)27)18(11-32)24(35(23)15-4-6-19(26)21(28)9-15)22-7-5-16(12-33-22)38(36,37)34-13(2)25(29,30)31;1-25(2,3)37(34,35)31-20-10-9-14(13-30-20)22-21(23(29)33)16-11-17(26)19(36-24(27)28)12-18(16)32(22)15-7-5-4-6-8-15;1-25(2,3)37(34,35)30-20-10-9-14(13-29-20)22-21(23(32)33)16-11-17(26)19(36-24(27)28)12-18(16)31(22)15-7-5-4-6-8-15;1-12-7-19-14(8-17(12)23)9-20(30(19)21-6-3-15(10-27)33-21)18-5-4-16(11-28-18)34(31,32)29-13(2)22(24,25)26/h2*4-10,12-13,34H,3H2,1-2H3;9-13,15,24H,4-8H2,1-3H3,(H2,29,33)(H,30,31);9-13,15,24H,4-8H2,1-3H3,(H,29,30)(H,32,33);3-9,11,13,29H,1-2H3/t2*13-;;;13-/m00..0/s1
• InChIKey: GHGVDQGEXKGCLU-QSTMMUETSA-N
• XLogP: 28.67
• TPSA: 503.31 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 28
• Rotatable Bonds: 31
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2692.08
LogP ≤ 5	28.67
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

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

The IUPAC name of 2-[6-(tert-butylsulfonylamino)-3-pyridinyl]-1-cyclohexyl-6-(difluoromethoxy)-5-fluoroindole-3-carboxamide;2-[6-(tert-butylsulfonylamino)-3-pyridinyl]-1-cyclohexyl-6-(difluoromethoxy)-5-fluoroindole-3-carboxylic acid;6-[1-(3-chloro-4-fluorophenyl)-3-cyano-6-ethyl-5-fluoroindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(3,4-difluorophenyl)-6-ethyl-5-fluoroindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[1-(5-cyanofuran-2-yl)-5-fluoro-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (CID 158255847) is 2-[6-(tert-butylsulfonylamino)-3-pyridinyl]-1-cyclohexyl-6-(difluoromethoxy)-5-fluoroindole-3-carboxamide;2-[6-(tert-butylsulfonylamino)-3-pyridinyl]-1-cyclohexyl-6-(difluoromethoxy)-5-fluoroindole-3-carboxylic acid;6-[1-(3-chloro-4-fluorophenyl)-3-cyano-6-ethyl-5-fluoroindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(3,4-difluorophenyl)-6-ethyl-5-fluoroindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[1-(5-cyanofuran-2-yl)-5-fluoro-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide.

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

The canonical SMILES for 2-[6-(tert-butylsulfonylamino)-3-pyridinyl]-1-cyclohexyl-6-(difluoromethoxy)-5-fluoroindole-3-carboxamide;2-[6-(tert-butylsulfonylamino)-3-pyridinyl]-1-cyclohexyl-6-(difluoromethoxy)-5-fluoroindole-3-carboxylic acid;6-[1-(3-chloro-4-fluorophenyl)-3-cyano-6-ethyl-5-fluoroindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(3,4-difluorophenyl)-6-ethyl-5-fluoroindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[1-(5-cyanofuran-2-yl)-5-fluoro-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is CC(C)(C)S(=O)(=O)Nc1ccc(-c2c(C(=O)O)c3cc(F)c(OC(F)F)cc3n2C2CCCCC2)cn1.CC(C)(C)S(=O)(=O)Nc1ccc(-c2c(C(N)=O)c3cc(F)c(OC(F)F)cc3n2C2CCCCC2)cn1.CCc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1ccc(F)c(Cl)c1.CCc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1ccc(F)c(F)c1.Cc1cc2c(cc1F)cc(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1ccc(C#N)o1.

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

The InChIKey is GHGVDQGEXKGCLU-QSTMMUETSA-N. The full InChI is InChI=1S/C25H18ClF5N4O2S.C25H18F6N4O2S.C25H29F3N4O4S.C25H28F3N3O5S.C22H16F4N4O3S/c1-3-14-8-23-17(10-21(14)28)18(11-32)24(35(23)15-4-6-20(27)19(26)9-15)22-7-5-16(12-33-22)38(36,37)34-13(2)25(29,30)31;1-3-14-8-23-17(10-20(14)27)18(11-32)24(35(23)15-4-6-19(26)21(28)9-15)22-7-5-16(12-33-22)38(36,37)34-13(2)25(29,30)31;1-25(2,3)37(34,35)31-20-10-9-14(13-30-20)22-21(23(29)33)16-11-17(26)19(36-24(27)28)12-18(16)32(22)15-7-5-4-6-8-15;1-25(2,3)37(34,35)30-20-10-9-14(13-29-20)22-21(23(32)33)16-11-17(26)19(36-24(27)28)12-18(16)31(22)15-7-5-4-6-8-15;1-12-7-19-14(8-17(12)23)9-20(30(19)21-6-3-15(10-27)33-21)18-5-4-16(11-28-18)34(31,32)29-13(2)22(24,25)26/h2*4-10,12-13,34H,3H2,1-2H3;9-13,15,24H,4-8H2,1-3H3,(H2,29,33)(H,30,31);9-13,15,24H,4-8H2,1-3H3,(H,29,30)(H,32,33);3-9,11,13,29H,1-2H3/t2*13-;;;13-/m00..0/s1.

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

2-[6-(tert-butylsulfonylamino)-3-pyridinyl]-1-cyclohexyl-6-(difluoromethoxy)-5-fluoroindole-3-carboxamide;2-[6-(tert-butylsulfonylamino)-3-pyridinyl]-1-cyclohexyl-6-(difluoromethoxy)-5-fluoroindole-3-carboxylic acid;6-[1-(3-chloro-4-fluorophenyl)-3-cyano-6-ethyl-5-fluoroindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(3,4-difluorophenyl)-6-ethyl-5-fluoroindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[1-(5-cyanofuran-2-yl)-5-fluoro-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide has a molecular weight of 2692.08 g/mol, XLogP of 28.67, 31 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(tert-butylsulfonylamino)-3-pyridinyl]-1-cyclohexyl-6-(difluoromethoxy)-5-fluoroindole-3-carboxamide;2-[6-(tert-butylsulfonylamino)-3-pyridinyl]-1-cyclohexyl-6-(difluoromethoxy)-5-fluoroindole-3-carboxylic acid;6-[1-(3-chloro-4-fluorophenyl)-3-cyano-6-ethyl-5-fluoroindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(3,4-difluorophenyl)-6-ethyl-5-fluoroindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[1-(5-cyanofuran-2-yl)-5-fluoro-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 158255847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).