N-tert-butyl-6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;2-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;4-(5-cyano-7-cyclobutyl-2-methylpyrrolo[2,3-d]pyrimidin-6-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenesulfonamide

C124H118Cl3F14N31O14S6 — CID 157450419

About N-tert-butyl-6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;2-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;4-(5-cyano-7-cyclobutyl-2-methylpyrrolo[2,3-d]pyrimidin-6-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenesulfonamide

N-tert-butyl-6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;2-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;4-(5-cyano-7-cyclobutyl-2-methylpyrrolo[2,3-d]pyrimidin-6-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenesulfonamide (PubChem CID 157450419) has the molecular formula C124H118Cl3F14N31O14S6 and a molecular weight of 2831.24 g/mol. Its IUPAC name is N-tert-butyl-6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;2-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;4-(5-cyano-7-cyclobutyl-2-methylpyrrolo[2,3-d]pyrimidin-6-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenesulfonamide.

Molecular Properties

• Compound Name: N-tert-butyl-6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;2-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;4-(5-cyano-7-cyclobutyl-2-methylpyrrolo[2,3-d]pyrimidin-6-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenesulfonamide
• PubChem CID: 157450419
• Molecular Formula: C124H118Cl3F14N31O14S6
• Molecular Weight: 2831.24 g/mol
• Exact Mass: 2827.66
• IUPAC Name: N-tert-butyl-6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;2-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;4-(5-cyano-7-cyclobutyl-2-methylpyrrolo[2,3-d]pyrimidin-6-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenesulfonamide
• SMILES: CC(C)(C)NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(Cl)cnc3n2C2CCC2)nc1.COc1cnc2c(c1)c(C#N)c(-c1ncc(S(=O)(=O)NC(C)C)cn1)n2C1CCC1.C[C@@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(Cl)cnc3n2C2CCC2)nc1)C(F)(F)F.C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(Cl)cnc3n2C2CCC2)nc1)C(F)(F)F.C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3ccc(OC(F)F)nc3n2C2CCC2)nc1)C(F)(F)F.Cc1ncc2c(C#N)c(-c3ccc(S(=O)(=O)NC(C)(C)C(F)(F)F)cc3)n(C3CCC3)c2n1
• InChI: InChI=1S/C22H22F3N5O2S.C21H22ClN5O2S.C21H18F5N5O3S.2C20H17ClF3N5O2S.C20H22N6O3S/c1-13-27-12-18-17(11-26)19(30(20(18)28-13)15-5-4-6-15)14-7-9-16(10-8-14)33(31,32)29-21(2,3)22(23,24)25;1-21(2,3)26-30(28,29)15-7-8-18(24-12-15)19-17(10-23)16-9-13(22)11-25-20(16)27(19)14-5-4-6-14;1-11(21(24,25)26)30-35(32,33)13-5-7-16(28-10-13)18-15(9-27)14-6-8-17(34-20(22)23)29-19(14)31(18)12-3-2-4-12;2*1-11(20(22,23)24)28-32(30,31)14-5-6-17(26-10-14)18-16(8-25)15-7-12(21)9-27-19(15)29(18)13-3-2-4-13;1-12(2)25-30(27,28)15-10-22-19(23-11-15)18-17(8-21)16-7-14(29-3)9-24-20(16)26(18)13-5-4-6-13/h7-10,12,15,29H,4-6H2,1-3H3;7-9,11-12,14,26H,4-6H2,1-3H3;5-8,10-12,20,30H,2-4H2,1H3;2*5-7,9-11,13,28H,2-4H2,1H3;7,9-13,25H,4-6H2,1-3H3/t;;3*11-;/m..010./s1
• InChIKey: BSSRNUZZEXRFNE-QLOJQOMYSA-N
• XLogP: 25.51
• TPSA: 635.37 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 39
• Rotatable Bonds: 32
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2831.24
LogP ≤ 5	25.51
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;2-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;4-(5-cyano-7-cyclobutyl-2-methylpyrrolo[2,3-d]pyrimidin-6-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenesulfonamide?

The IUPAC name of N-tert-butyl-6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;2-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;4-(5-cyano-7-cyclobutyl-2-methylpyrrolo[2,3-d]pyrimidin-6-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenesulfonamide (CID 157450419) is N-tert-butyl-6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;2-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;4-(5-cyano-7-cyclobutyl-2-methylpyrrolo[2,3-d]pyrimidin-6-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenesulfonamide.

What is the SMILES notation for N-tert-butyl-6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;2-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;4-(5-cyano-7-cyclobutyl-2-methylpyrrolo[2,3-d]pyrimidin-6-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenesulfonamide?

The canonical SMILES for N-tert-butyl-6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;2-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;4-(5-cyano-7-cyclobutyl-2-methylpyrrolo[2,3-d]pyrimidin-6-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenesulfonamide is CC(C)(C)NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(Cl)cnc3n2C2CCC2)nc1.COc1cnc2c(c1)c(C#N)c(-c1ncc(S(=O)(=O)NC(C)C)cn1)n2C1CCC1.C[C@@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(Cl)cnc3n2C2CCC2)nc1)C(F)(F)F.C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(Cl)cnc3n2C2CCC2)nc1)C(F)(F)F.C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3ccc(OC(F)F)nc3n2C2CCC2)nc1)C(F)(F)F.Cc1ncc2c(C#N)c(-c3ccc(S(=O)(=O)NC(C)(C)C(F)(F)F)cc3)n(C3CCC3)c2n1.

What is the InChIKey of N-tert-butyl-6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;2-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;4-(5-cyano-7-cyclobutyl-2-methylpyrrolo[2,3-d]pyrimidin-6-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenesulfonamide?

The InChIKey is BSSRNUZZEXRFNE-QLOJQOMYSA-N. The full InChI is InChI=1S/C22H22F3N5O2S.C21H22ClN5O2S.C21H18F5N5O3S.2C20H17ClF3N5O2S.C20H22N6O3S/c1-13-27-12-18-17(11-26)19(30(20(18)28-13)15-5-4-6-15)14-7-9-16(10-8-14)33(31,32)29-21(2,3)22(23,24)25;1-21(2,3)26-30(28,29)15-7-8-18(24-12-15)19-17(10-23)16-9-13(22)11-25-20(16)27(19)14-5-4-6-14;1-11(21(24,25)26)30-35(32,33)13-5-7-16(28-10-13)18-15(9-27)14-6-8-17(34-20(22)23)29-19(14)31(18)12-3-2-4-12;2*1-11(20(22,23)24)28-32(30,31)14-5-6-17(26-10-14)18-16(8-25)15-7-12(21)9-27-19(15)29(18)13-3-2-4-13;1-12(2)25-30(27,28)15-10-22-19(23-11-15)18-17(8-21)16-7-14(29-3)9-24-20(16)26(18)13-5-4-6-13/h7-10,12,15,29H,4-6H2,1-3H3;7-9,11-12,14,26H,4-6H2,1-3H3;5-8,10-12,20,30H,2-4H2,1H3;2*5-7,9-11,13,28H,2-4H2,1H3;7,9-13,25H,4-6H2,1-3H3/t;;3*11-;/m..010./s1.

What are the key properties of N-tert-butyl-6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;2-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;4-(5-cyano-7-cyclobutyl-2-methylpyrrolo[2,3-d]pyrimidin-6-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenesulfonamide?

N-tert-butyl-6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;2-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;4-(5-cyano-7-cyclobutyl-2-methylpyrrolo[2,3-d]pyrimidin-6-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenesulfonamide has a molecular weight of 2831.24 g/mol, XLogP of 25.51, 32 rotatable bonds, 6 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;2-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;4-(5-cyano-7-cyclobutyl-2-methylpyrrolo[2,3-d]pyrimidin-6-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 157450419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).