N-tert-butyl-6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]-N-(difluoromethyl)pyridine-3-sulfonamide;N-tert-butyl-6-(3-cyano-1-cyclobutyl-5-fluoro-6-hydroxyindol-2-yl)pyridine-3-sulfonamide;2-(5-tert-butylsulfonyl-2-pyridinyl)-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindole-3-carbonitrile;6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]pyridine-3-sulfonamide;1-cyclobutyl-6-(difluoromethoxy)-5-fluoro-2-[5-(propan-2-ylsulfamoyl)-2-pyridinyl]indole-3-carboxamide;1-cyclopentyl-6-(difluoromethoxy)-5-fluoro-2-[5-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide

C133H128F21N23O20S6 — CID 158240209

About N-tert-butyl-6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]-N-(difluoromethyl)pyridine-3-sulfonamide;N-tert-butyl-6-(3-cyano-1-cyclobutyl-5-fluoro-6-hydroxyindol-2-yl)pyridine-3-sulfonamide;2-(5-tert-butylsulfonyl-2-pyridinyl)-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindole-3-carbonitrile;6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]pyridine-3-sulfonamide;1-cyclobutyl-6-(difluoromethoxy)-5-fluoro-2-[5-(propan-2-ylsulfamoyl)-2-pyridinyl]indole-3-carboxamide;1-cyclopentyl-6-(difluoromethoxy)-5-fluoro-2-[5-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide

N-tert-butyl-6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]-N-(difluoromethyl)pyridine-3-sulfonamide;N-tert-butyl-6-(3-cyano-1-cyclobutyl-5-fluoro-6-hydroxyindol-2-yl)pyridine-3-sulfonamide;2-(5-tert-butylsulfonyl-2-pyridinyl)-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindole-3-carbonitrile;6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]pyridine-3-sulfonamide;1-cyclobutyl-6-(difluoromethoxy)-5-fluoro-2-[5-(propan-2-ylsulfamoyl)-2-pyridinyl]indole-3-carboxamide;1-cyclopentyl-6-(difluoromethoxy)-5-fluoro-2-[5-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide (PubChem CID 158240209) has the molecular formula C133H128F21N23O20S6 and a molecular weight of 2959.99 g/mol. Its IUPAC name is N-tert-butyl-6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]-N-(difluoromethyl)pyridine-3-sulfonamide;N-tert-butyl-6-(3-cyano-1-cyclobutyl-5-fluoro-6-hydroxyindol-2-yl)pyridine-3-sulfonamide;2-(5-tert-butylsulfonyl-2-pyridinyl)-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindole-3-carbonitrile;6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]pyridine-3-sulfonamide;1-cyclobutyl-6-(difluoromethoxy)-5-fluoro-2-[5-(propan-2-ylsulfamoyl)-2-pyridinyl]indole-3-carboxamide;1-cyclopentyl-6-(difluoromethoxy)-5-fluoro-2-[5-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide.

Molecular Properties

• Compound Name: N-tert-butyl-6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]-N-(difluoromethyl)pyridine-3-sulfonamide;N-tert-butyl-6-(3-cyano-1-cyclobutyl-5-fluoro-6-hydroxyindol-2-yl)pyridine-3-sulfonamide;2-(5-tert-butylsulfonyl-2-pyridinyl)-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindole-3-carbonitrile;6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]pyridine-3-sulfonamide;1-cyclobutyl-6-(difluoromethoxy)-5-fluoro-2-[5-(propan-2-ylsulfamoyl)-2-pyridinyl]indole-3-carboxamide;1-cyclopentyl-6-(difluoromethoxy)-5-fluoro-2-[5-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide
• PubChem CID: 158240209
• Molecular Formula: C133H128F21N23O20S6
• Molecular Weight: 2959.99 g/mol
• Exact Mass: 2957.77
• IUPAC Name: N-tert-butyl-6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]-N-(difluoromethyl)pyridine-3-sulfonamide;N-tert-butyl-6-(3-cyano-1-cyclobutyl-5-fluoro-6-hydroxyindol-2-yl)pyridine-3-sulfonamide;2-(5-tert-butylsulfonyl-2-pyridinyl)-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindole-3-carbonitrile;6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]pyridine-3-sulfonamide;1-cyclobutyl-6-(difluoromethoxy)-5-fluoro-2-[5-(propan-2-ylsulfamoyl)-2-pyridinyl]indole-3-carboxamide;1-cyclopentyl-6-(difluoromethoxy)-5-fluoro-2-[5-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide
• SMILES: CC(C)(C)N(C(F)F)S(=O)(=O)c1ccc(-c2c(C#N)c3cc(F)c(OC(F)F)cc3n2C2CCC2)nc1.CC(C)(C)NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(F)c(O)cc3n2C2CCC2)nc1.CC(C)(C)S(=O)(=O)c1ccc(-c2c(C#N)c3cc(F)c(OC(F)F)cc3n2C2CCC2)nc1.CC(C)NS(=O)(=O)c1ccc(-c2c(C(N)=O)c3cc(F)c(OC(F)F)cc3n2C2CCC2)nc1.C[C@@H](NS(=O)(=O)c1ccc(-c2c(C(N)=O)c3cc(F)c(OC(F)F)cc3n2C2CCCC2)nc1)C(F)(F)F.N#Cc1c(-c2ccc(S(N)(=O)=O)cn2)n(C2CCC2)c2cc(OC(F)F)c(F)cc12
• InChI: InChI=1S/C24H23F5N4O3S.C23H22F6N4O4S.C23H22F3N3O3S.C22H23F3N4O4S.C22H23FN4O3S.C19H15F3N4O3S/c1-24(2,3)33(22(26)27)37(34,35)14-7-8-18(31-12-14)21-16(11-30)15-9-17(25)20(36-23(28)29)10-19(15)32(21)13-5-4-6-13;1-11(23(27,28)29)32-38(35,36)13-6-7-16(31-10-13)20-19(21(30)34)14-8-15(24)18(37-22(25)26)9-17(14)33(20)12-4-2-3-5-12;1-23(2,3)33(30,31)14-7-8-18(28-12-14)21-16(11-27)15-9-17(24)20(32-22(25)26)10-19(15)29(21)13-5-4-6-13;1-11(2)28-34(31,32)13-6-7-16(27-10-13)20-19(21(26)30)14-8-15(23)18(33-22(24)25)9-17(14)29(20)12-4-3-5-12;1-22(2,3)26-31(29,30)14-7-8-18(25-12-14)21-16(11-24)15-9-17(23)20(28)10-19(15)27(21)13-5-4-6-13;20-14-6-12-13(8-23)18(15-5-4-11(9-25-15)30(24,27)28)26(10-2-1-3-10)16(12)7-17(14)29-19(21)22/h7-10,12-13,22-23H,4-6H2,1-3H3;6-12,22,32H,2-5H2,1H3,(H2,30,34);7-10,12-13,22H,4-6H2,1-3H3;6-12,22,28H,3-5H2,1-2H3,(H2,26,30);7-10,12-13,26,28H,4-6H2,1-3H3;4-7,9-10,19H,1-3H2,(H2,24,27,28)/t;11-;;;;/m.1..../s1
• InChIKey: GFLJRLOHFGREDO-CGZXBOCSSA-N
• XLogP: 28.42
• TPSA: 624.83 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 36
• Rotatable Bonds: 37
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2959.99
LogP ≤ 5	28.42
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]-N-(difluoromethyl)pyridine-3-sulfonamide;N-tert-butyl-6-(3-cyano-1-cyclobutyl-5-fluoro-6-hydroxyindol-2-yl)pyridine-3-sulfonamide;2-(5-tert-butylsulfonyl-2-pyridinyl)-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindole-3-carbonitrile;6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]pyridine-3-sulfonamide;1-cyclobutyl-6-(difluoromethoxy)-5-fluoro-2-[5-(propan-2-ylsulfamoyl)-2-pyridinyl]indole-3-carboxamide;1-cyclopentyl-6-(difluoromethoxy)-5-fluoro-2-[5-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide?

The IUPAC name of N-tert-butyl-6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]-N-(difluoromethyl)pyridine-3-sulfonamide;N-tert-butyl-6-(3-cyano-1-cyclobutyl-5-fluoro-6-hydroxyindol-2-yl)pyridine-3-sulfonamide;2-(5-tert-butylsulfonyl-2-pyridinyl)-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindole-3-carbonitrile;6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]pyridine-3-sulfonamide;1-cyclobutyl-6-(difluoromethoxy)-5-fluoro-2-[5-(propan-2-ylsulfamoyl)-2-pyridinyl]indole-3-carboxamide;1-cyclopentyl-6-(difluoromethoxy)-5-fluoro-2-[5-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide (CID 158240209) is N-tert-butyl-6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]-N-(difluoromethyl)pyridine-3-sulfonamide;N-tert-butyl-6-(3-cyano-1-cyclobutyl-5-fluoro-6-hydroxyindol-2-yl)pyridine-3-sulfonamide;2-(5-tert-butylsulfonyl-2-pyridinyl)-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindole-3-carbonitrile;6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]pyridine-3-sulfonamide;1-cyclobutyl-6-(difluoromethoxy)-5-fluoro-2-[5-(propan-2-ylsulfamoyl)-2-pyridinyl]indole-3-carboxamide;1-cyclopentyl-6-(difluoromethoxy)-5-fluoro-2-[5-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide.

What is the SMILES notation for N-tert-butyl-6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]-N-(difluoromethyl)pyridine-3-sulfonamide;N-tert-butyl-6-(3-cyano-1-cyclobutyl-5-fluoro-6-hydroxyindol-2-yl)pyridine-3-sulfonamide;2-(5-tert-butylsulfonyl-2-pyridinyl)-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindole-3-carbonitrile;6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]pyridine-3-sulfonamide;1-cyclobutyl-6-(difluoromethoxy)-5-fluoro-2-[5-(propan-2-ylsulfamoyl)-2-pyridinyl]indole-3-carboxamide;1-cyclopentyl-6-(difluoromethoxy)-5-fluoro-2-[5-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide?

The canonical SMILES for N-tert-butyl-6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]-N-(difluoromethyl)pyridine-3-sulfonamide;N-tert-butyl-6-(3-cyano-1-cyclobutyl-5-fluoro-6-hydroxyindol-2-yl)pyridine-3-sulfonamide;2-(5-tert-butylsulfonyl-2-pyridinyl)-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindole-3-carbonitrile;6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]pyridine-3-sulfonamide;1-cyclobutyl-6-(difluoromethoxy)-5-fluoro-2-[5-(propan-2-ylsulfamoyl)-2-pyridinyl]indole-3-carboxamide;1-cyclopentyl-6-(difluoromethoxy)-5-fluoro-2-[5-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide is CC(C)(C)N(C(F)F)S(=O)(=O)c1ccc(-c2c(C#N)c3cc(F)c(OC(F)F)cc3n2C2CCC2)nc1.CC(C)(C)NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(F)c(O)cc3n2C2CCC2)nc1.CC(C)(C)S(=O)(=O)c1ccc(-c2c(C#N)c3cc(F)c(OC(F)F)cc3n2C2CCC2)nc1.CC(C)NS(=O)(=O)c1ccc(-c2c(C(N)=O)c3cc(F)c(OC(F)F)cc3n2C2CCC2)nc1.C[C@@H](NS(=O)(=O)c1ccc(-c2c(C(N)=O)c3cc(F)c(OC(F)F)cc3n2C2CCCC2)nc1)C(F)(F)F.N#Cc1c(-c2ccc(S(N)(=O)=O)cn2)n(C2CCC2)c2cc(OC(F)F)c(F)cc12.

What is the InChIKey of N-tert-butyl-6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]-N-(difluoromethyl)pyridine-3-sulfonamide;N-tert-butyl-6-(3-cyano-1-cyclobutyl-5-fluoro-6-hydroxyindol-2-yl)pyridine-3-sulfonamide;2-(5-tert-butylsulfonyl-2-pyridinyl)-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindole-3-carbonitrile;6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]pyridine-3-sulfonamide;1-cyclobutyl-6-(difluoromethoxy)-5-fluoro-2-[5-(propan-2-ylsulfamoyl)-2-pyridinyl]indole-3-carboxamide;1-cyclopentyl-6-(difluoromethoxy)-5-fluoro-2-[5-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide?

The InChIKey is GFLJRLOHFGREDO-CGZXBOCSSA-N. The full InChI is InChI=1S/C24H23F5N4O3S.C23H22F6N4O4S.C23H22F3N3O3S.C22H23F3N4O4S.C22H23FN4O3S.C19H15F3N4O3S/c1-24(2,3)33(22(26)27)37(34,35)14-7-8-18(31-12-14)21-16(11-30)15-9-17(25)20(36-23(28)29)10-19(15)32(21)13-5-4-6-13;1-11(23(27,28)29)32-38(35,36)13-6-7-16(31-10-13)20-19(21(30)34)14-8-15(24)18(37-22(25)26)9-17(14)33(20)12-4-2-3-5-12;1-23(2,3)33(30,31)14-7-8-18(28-12-14)21-16(11-27)15-9-17(24)20(32-22(25)26)10-19(15)29(21)13-5-4-6-13;1-11(2)28-34(31,32)13-6-7-16(27-10-13)20-19(21(26)30)14-8-15(23)18(33-22(24)25)9-17(14)29(20)12-4-3-5-12;1-22(2,3)26-31(29,30)14-7-8-18(25-12-14)21-16(11-24)15-9-17(23)20(28)10-19(15)27(21)13-5-4-6-13;20-14-6-12-13(8-23)18(15-5-4-11(9-25-15)30(24,27)28)26(10-2-1-3-10)16(12)7-17(14)29-19(21)22/h7-10,12-13,22-23H,4-6H2,1-3H3;6-12,22,32H,2-5H2,1H3,(H2,30,34);7-10,12-13,22H,4-6H2,1-3H3;6-12,22,28H,3-5H2,1-2H3,(H2,26,30);7-10,12-13,26,28H,4-6H2,1-3H3;4-7,9-10,19H,1-3H2,(H2,24,27,28)/t;11-;;;;/m.1..../s1.

What are the key properties of N-tert-butyl-6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]-N-(difluoromethyl)pyridine-3-sulfonamide;N-tert-butyl-6-(3-cyano-1-cyclobutyl-5-fluoro-6-hydroxyindol-2-yl)pyridine-3-sulfonamide;2-(5-tert-butylsulfonyl-2-pyridinyl)-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindole-3-carbonitrile;6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]pyridine-3-sulfonamide;1-cyclobutyl-6-(difluoromethoxy)-5-fluoro-2-[5-(propan-2-ylsulfamoyl)-2-pyridinyl]indole-3-carboxamide;1-cyclopentyl-6-(difluoromethoxy)-5-fluoro-2-[5-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide?

N-tert-butyl-6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]-N-(difluoromethyl)pyridine-3-sulfonamide;N-tert-butyl-6-(3-cyano-1-cyclobutyl-5-fluoro-6-hydroxyindol-2-yl)pyridine-3-sulfonamide;2-(5-tert-butylsulfonyl-2-pyridinyl)-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindole-3-carbonitrile;6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]pyridine-3-sulfonamide;1-cyclobutyl-6-(difluoromethoxy)-5-fluoro-2-[5-(propan-2-ylsulfamoyl)-2-pyridinyl]indole-3-carboxamide;1-cyclopentyl-6-(difluoromethoxy)-5-fluoro-2-[5-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide has a molecular weight of 2959.99 g/mol, XLogP of 28.42, 37 rotatable bonds, 7 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]-N-(difluoromethyl)pyridine-3-sulfonamide;N-tert-butyl-6-(3-cyano-1-cyclobutyl-5-fluoro-6-hydroxyindol-2-yl)pyridine-3-sulfonamide;2-(5-tert-butylsulfonyl-2-pyridinyl)-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindole-3-carbonitrile;6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]pyridine-3-sulfonamide;1-cyclobutyl-6-(difluoromethoxy)-5-fluoro-2-[5-(propan-2-ylsulfamoyl)-2-pyridinyl]indole-3-carboxamide;1-cyclopentyl-6-(difluoromethoxy)-5-fluoro-2-[5-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide is sourced from PubChem (CID 158240209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).