2-[4-(tert-butylsulfamoyl)phenyl]-1-cyclohexyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclohexyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclohexyl-2-[4-[(1-methylcyclopropyl)sulfonylamino]phenyl]-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclohexyl-2-[4-(propan-2-ylsulfonylamino)phenyl]-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclohexyl-5-(trifluoromethyl)-2-[4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide

C123H136F18N20O15S5 — CID 160578767

About 2-[4-(tert-butylsulfamoyl)phenyl]-1-cyclohexyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclohexyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclohexyl-2-[4-[(1-methylcyclopropyl)sulfonylamino]phenyl]-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclohexyl-2-[4-(propan-2-ylsulfonylamino)phenyl]-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclohexyl-5-(trifluoromethyl)-2-[4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide

2-[4-(tert-butylsulfamoyl)phenyl]-1-cyclohexyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclohexyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclohexyl-2-[4-[(1-methylcyclopropyl)sulfonylamino]phenyl]-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclohexyl-2-[4-(propan-2-ylsulfonylamino)phenyl]-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclohexyl-5-(trifluoromethyl)-2-[4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 160578767) has the molecular formula C123H136F18N20O15S5 and a molecular weight of 2636.86 g/mol. Its IUPAC name is 2-[4-(tert-butylsulfamoyl)phenyl]-1-cyclohexyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclohexyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclohexyl-2-[4-[(1-methylcyclopropyl)sulfonylamino]phenyl]-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclohexyl-2-[4-(propan-2-ylsulfonylamino)phenyl]-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclohexyl-5-(trifluoromethyl)-2-[4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-[4-(tert-butylsulfamoyl)phenyl]-1-cyclohexyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclohexyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclohexyl-2-[4-[(1-methylcyclopropyl)sulfonylamino]phenyl]-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclohexyl-2-[4-(propan-2-ylsulfonylamino)phenyl]-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclohexyl-5-(trifluoromethyl)-2-[4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide
• PubChem CID: 160578767
• Molecular Formula: C123H136F18N20O15S5
• Molecular Weight: 2636.86 g/mol
• Exact Mass: 2634.88
• IUPAC Name: 2-[4-(tert-butylsulfamoyl)phenyl]-1-cyclohexyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclohexyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclohexyl-2-[4-[(1-methylcyclopropyl)sulfonylamino]phenyl]-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclohexyl-2-[4-(propan-2-ylsulfonylamino)phenyl]-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclohexyl-5-(trifluoromethyl)-2-[4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide
• SMILES: CC(C)(C)NS(=O)(=O)c1ccc(-c2c(C(N)=O)c3cc(C(F)(F)F)cnc3n2C2CCCCC2)cc1.CC(C)(C)S(=O)(=O)Nc1ccc(-c2c(C(N)=O)c3cc(C(F)(F)F)cnc3n2C2CCCCC2)cc1.CC(C)S(=O)(=O)Nc1ccc(-c2c(C(N)=O)c3cc(C(F)(F)F)cnc3n2C2CCCCC2)cc1.CC1(S(=O)(=O)Nc2ccc(-c3c(C(N)=O)c4cc(C(F)(F)F)cnc4n3C3CCCCC3)cc2)CC1.C[C@@H](NS(=O)(=O)c1ccc(-c2c(C(N)=O)c3cc(C(F)(F)F)cnc3n2C2CCCCC2)cc1)C(F)(F)F
• InChI: InChI=1S/C25H27F3N4O3S.2C25H29F3N4O3S.C24H24F6N4O3S.C24H27F3N4O3S/c1-24(11-12-24)36(34,35)31-17-9-7-15(8-10-17)21-20(22(29)33)19-13-16(25(26,27)28)14-30-23(19)32(21)18-5-3-2-4-6-18;1-24(2,3)36(34,35)31-17-11-9-15(10-12-17)21-20(22(29)33)19-13-16(25(26,27)28)14-30-23(19)32(21)18-7-5-4-6-8-18;1-24(2,3)31-36(34,35)18-11-9-15(10-12-18)21-20(22(29)33)19-13-16(25(26,27)28)14-30-23(19)32(21)17-7-5-4-6-8-17;1-13(23(25,26)27)33-38(36,37)17-9-7-14(8-10-17)20-19(21(31)35)18-11-15(24(28,29)30)12-32-22(18)34(20)16-5-3-2-4-6-16;1-14(2)35(33,34)30-17-10-8-15(9-11-17)21-20(22(28)32)19-12-16(24(25,26)27)13-29-23(19)31(21)18-6-4-3-5-7-18/h7-10,13-14,18,31H,2-6,11-12H2,1H3,(H2,29,33);9-14,18,31H,4-8H2,1-3H3,(H2,29,33);9-14,17,31H,4-8H2,1-3H3,(H2,29,33);7-13,16,33H,2-6H2,1H3,(H2,31,35);8-14,18,30H,3-7H2,1-2H3,(H2,28,32)/t;;;13-;/m...1./s1
• InChIKey: RBMOWGRLHPKFKP-OMTVLGNXSA-N
• XLogP: 27.92
• TPSA: 535.40 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 25
• Rotatable Bonds: 28
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2636.86
LogP ≤ 5	27.92
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 2-[4-(tert-butylsulfamoyl)phenyl]-1-cyclohexyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclohexyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclohexyl-2-[4-[(1-methylcyclopropyl)sulfonylamino]phenyl]-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclohexyl-2-[4-(propan-2-ylsulfonylamino)phenyl]-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclohexyl-5-(trifluoromethyl)-2-[4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide?

The IUPAC name of 2-[4-(tert-butylsulfamoyl)phenyl]-1-cyclohexyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclohexyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclohexyl-2-[4-[(1-methylcyclopropyl)sulfonylamino]phenyl]-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclohexyl-2-[4-(propan-2-ylsulfonylamino)phenyl]-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclohexyl-5-(trifluoromethyl)-2-[4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide (CID 160578767) is 2-[4-(tert-butylsulfamoyl)phenyl]-1-cyclohexyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclohexyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclohexyl-2-[4-[(1-methylcyclopropyl)sulfonylamino]phenyl]-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclohexyl-2-[4-(propan-2-ylsulfonylamino)phenyl]-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclohexyl-5-(trifluoromethyl)-2-[4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide.

What is the SMILES notation for 2-[4-(tert-butylsulfamoyl)phenyl]-1-cyclohexyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclohexyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclohexyl-2-[4-[(1-methylcyclopropyl)sulfonylamino]phenyl]-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclohexyl-2-[4-(propan-2-ylsulfonylamino)phenyl]-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclohexyl-5-(trifluoromethyl)-2-[4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide?

The canonical SMILES for 2-[4-(tert-butylsulfamoyl)phenyl]-1-cyclohexyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclohexyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclohexyl-2-[4-[(1-methylcyclopropyl)sulfonylamino]phenyl]-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclohexyl-2-[4-(propan-2-ylsulfonylamino)phenyl]-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclohexyl-5-(trifluoromethyl)-2-[4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide is CC(C)(C)NS(=O)(=O)c1ccc(-c2c(C(N)=O)c3cc(C(F)(F)F)cnc3n2C2CCCCC2)cc1.CC(C)(C)S(=O)(=O)Nc1ccc(-c2c(C(N)=O)c3cc(C(F)(F)F)cnc3n2C2CCCCC2)cc1.CC(C)S(=O)(=O)Nc1ccc(-c2c(C(N)=O)c3cc(C(F)(F)F)cnc3n2C2CCCCC2)cc1.CC1(S(=O)(=O)Nc2ccc(-c3c(C(N)=O)c4cc(C(F)(F)F)cnc4n3C3CCCCC3)cc2)CC1.C[C@@H](NS(=O)(=O)c1ccc(-c2c(C(N)=O)c3cc(C(F)(F)F)cnc3n2C2CCCCC2)cc1)C(F)(F)F.

What is the InChIKey of 2-[4-(tert-butylsulfamoyl)phenyl]-1-cyclohexyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclohexyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclohexyl-2-[4-[(1-methylcyclopropyl)sulfonylamino]phenyl]-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclohexyl-2-[4-(propan-2-ylsulfonylamino)phenyl]-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclohexyl-5-(trifluoromethyl)-2-[4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide?

The InChIKey is RBMOWGRLHPKFKP-OMTVLGNXSA-N. The full InChI is InChI=1S/C25H27F3N4O3S.2C25H29F3N4O3S.C24H24F6N4O3S.C24H27F3N4O3S/c1-24(11-12-24)36(34,35)31-17-9-7-15(8-10-17)21-20(22(29)33)19-13-16(25(26,27)28)14-30-23(19)32(21)18-5-3-2-4-6-18;1-24(2,3)36(34,35)31-17-11-9-15(10-12-17)21-20(22(29)33)19-13-16(25(26,27)28)14-30-23(19)32(21)18-7-5-4-6-8-18;1-24(2,3)31-36(34,35)18-11-9-15(10-12-18)21-20(22(29)33)19-13-16(25(26,27)28)14-30-23(19)32(21)17-7-5-4-6-8-17;1-13(23(25,26)27)33-38(36,37)17-9-7-14(8-10-17)20-19(21(31)35)18-11-15(24(28,29)30)12-32-22(18)34(20)16-5-3-2-4-6-16;1-14(2)35(33,34)30-17-10-8-15(9-11-17)21-20(22(28)32)19-12-16(24(25,26)27)13-29-23(19)31(21)18-6-4-3-5-7-18/h7-10,13-14,18,31H,2-6,11-12H2,1H3,(H2,29,33);9-14,18,31H,4-8H2,1-3H3,(H2,29,33);9-14,17,31H,4-8H2,1-3H3,(H2,29,33);7-13,16,33H,2-6H2,1H3,(H2,31,35);8-14,18,30H,3-7H2,1-2H3,(H2,28,32)/t;;;13-;/m...1./s1.

What are the key properties of 2-[4-(tert-butylsulfamoyl)phenyl]-1-cyclohexyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclohexyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclohexyl-2-[4-[(1-methylcyclopropyl)sulfonylamino]phenyl]-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclohexyl-2-[4-(propan-2-ylsulfonylamino)phenyl]-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclohexyl-5-(trifluoromethyl)-2-[4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide?

2-[4-(tert-butylsulfamoyl)phenyl]-1-cyclohexyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclohexyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclohexyl-2-[4-[(1-methylcyclopropyl)sulfonylamino]phenyl]-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclohexyl-2-[4-(propan-2-ylsulfonylamino)phenyl]-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclohexyl-5-(trifluoromethyl)-2-[4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 2636.86 g/mol, XLogP of 27.92, 28 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(tert-butylsulfamoyl)phenyl]-1-cyclohexyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclohexyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclohexyl-2-[4-[(1-methylcyclopropyl)sulfonylamino]phenyl]-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclohexyl-2-[4-(propan-2-ylsulfonylamino)phenyl]-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclohexyl-5-(trifluoromethyl)-2-[4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 160578767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).