N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-3-methoxybenzenesulfonamide;tris(N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-3-methylbenzenesulfonamide);N-[2,4-difluoro-3-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-methylbenzenesulfonamide;N-[2,4-difluoro-3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-methylbenzenesulfonamide

C133H96Cl4F12N20O21S6 — CID 160937605

About N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-3-methoxybenzenesulfonamide;tris(N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-3-methylbenzenesulfonamide);N-[2,4-difluoro-3-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-methylbenzenesulfonamide;N-[2,4-difluoro-3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-methylbenzenesulfonamide

N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-3-methoxybenzenesulfonamide;tris(N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-3-methylbenzenesulfonamide);N-[2,4-difluoro-3-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-methylbenzenesulfonamide;N-[2,4-difluoro-3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-methylbenzenesulfonamide (PubChem CID 160937605) has the molecular formula C133H96Cl4F12N20O21S6 and a molecular weight of 2872.54 g/mol. Its IUPAC name is N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-3-methoxybenzenesulfonamide;tris(N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-3-methylbenzenesulfonamide);N-[2,4-difluoro-3-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-methylbenzenesulfonamide;N-[2,4-difluoro-3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-methylbenzenesulfonamide.

Molecular Properties

• Compound Name: N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-3-methoxybenzenesulfonamide;tris(N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-3-methylbenzenesulfonamide);N-[2,4-difluoro-3-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-methylbenzenesulfonamide;N-[2,4-difluoro-3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-methylbenzenesulfonamide
• PubChem CID: 160937605
• Molecular Formula: C133H96Cl4F12N20O21S6
• Molecular Weight: 2872.54 g/mol
• Exact Mass: 2868.39
• IUPAC Name: N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-3-methoxybenzenesulfonamide;tris(N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-3-methylbenzenesulfonamide);N-[2,4-difluoro-3-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-methylbenzenesulfonamide;N-[2,4-difluoro-3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-methylbenzenesulfonamide
• SMILES: COCCOc1cnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4cccc(C)c4)c3F)c2c1.COc1cccc(S(=O)(=O)Nc2ccc(F)c(C(=O)c3c[nH]c4ncc(Cl)cc34)c2F)c1.Cc1cccc(S(=O)(=O)Nc2ccc(F)c(C(=O)c3c[nH]c4ncc(-c5cnn(C)c5)cc34)c2F)c1.Cc1cccc(S(=O)(=O)Nc2ccc(F)c(C(=O)c3c[nH]c4ncc(Cl)cc34)c2F)c1.Cc1cccc(S(=O)(=O)Nc2ccc(F)c(C(=O)c3c[nH]c4ncc(Cl)cc34)c2F)c1.Cc1cccc(S(=O)(=O)Nc2ccc(F)c(C(=O)c3c[nH]c4ncc(Cl)cc34)c2F)c1
• InChI: InChI=1S/C25H19F2N5O3S.C24H21F2N3O5S.C21H14ClF2N3O4S.3C21H14ClF2N3O3S/c1-14-4-3-5-17(8-14)36(34,35)31-21-7-6-20(26)22(23(21)27)24(33)19-12-29-25-18(19)9-15(10-28-25)16-11-30-32(2)13-16;1-14-4-3-5-16(10-14)35(31,32)29-20-7-6-19(25)21(22(20)26)23(30)18-13-28-24-17(18)11-15(12-27-24)34-9-8-33-2;1-31-12-3-2-4-13(8-12)32(29,30)27-17-6-5-16(23)18(19(17)24)20(28)15-10-26-21-14(15)7-11(22)9-25-21;3*1-11-3-2-4-13(7-11)31(29,30)27-17-6-5-16(23)18(19(17)24)20(28)15-10-26-21-14(15)8-12(22)9-25-21/h3-13,31H,1-2H3,(H,28,29);3-7,10-13,29H,8-9H2,1-2H3,(H,27,28);2-10,27H,1H3,(H,25,26);3*2-10,27H,1H3,(H,25,26)
• InChIKey: SUBRMLXILOIZBZ-UHFFFAOYSA-N
• XLogP: 27.83
• TPSA: 597.03 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 29
• Rotatable Bonds: 36
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2872.54
LogP ≤ 5	27.83
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-3-methoxybenzenesulfonamide;tris(N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-3-methylbenzenesulfonamide);N-[2,4-difluoro-3-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-methylbenzenesulfonamide;N-[2,4-difluoro-3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-methylbenzenesulfonamide?

The IUPAC name of N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-3-methoxybenzenesulfonamide;tris(N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-3-methylbenzenesulfonamide);N-[2,4-difluoro-3-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-methylbenzenesulfonamide;N-[2,4-difluoro-3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-methylbenzenesulfonamide (CID 160937605) is N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-3-methoxybenzenesulfonamide;tris(N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-3-methylbenzenesulfonamide);N-[2,4-difluoro-3-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-methylbenzenesulfonamide;N-[2,4-difluoro-3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-methylbenzenesulfonamide.

What is the SMILES notation for N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-3-methoxybenzenesulfonamide;tris(N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-3-methylbenzenesulfonamide);N-[2,4-difluoro-3-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-methylbenzenesulfonamide;N-[2,4-difluoro-3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-methylbenzenesulfonamide?

The canonical SMILES for N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-3-methoxybenzenesulfonamide;tris(N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-3-methylbenzenesulfonamide);N-[2,4-difluoro-3-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-methylbenzenesulfonamide;N-[2,4-difluoro-3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-methylbenzenesulfonamide is COCCOc1cnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4cccc(C)c4)c3F)c2c1.COc1cccc(S(=O)(=O)Nc2ccc(F)c(C(=O)c3c[nH]c4ncc(Cl)cc34)c2F)c1.Cc1cccc(S(=O)(=O)Nc2ccc(F)c(C(=O)c3c[nH]c4ncc(-c5cnn(C)c5)cc34)c2F)c1.Cc1cccc(S(=O)(=O)Nc2ccc(F)c(C(=O)c3c[nH]c4ncc(Cl)cc34)c2F)c1.Cc1cccc(S(=O)(=O)Nc2ccc(F)c(C(=O)c3c[nH]c4ncc(Cl)cc34)c2F)c1.Cc1cccc(S(=O)(=O)Nc2ccc(F)c(C(=O)c3c[nH]c4ncc(Cl)cc34)c2F)c1.

What is the InChIKey of N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-3-methoxybenzenesulfonamide;tris(N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-3-methylbenzenesulfonamide);N-[2,4-difluoro-3-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-methylbenzenesulfonamide;N-[2,4-difluoro-3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-methylbenzenesulfonamide?

The InChIKey is SUBRMLXILOIZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F2N5O3S.C24H21F2N3O5S.C21H14ClF2N3O4S.3C21H14ClF2N3O3S/c1-14-4-3-5-17(8-14)36(34,35)31-21-7-6-20(26)22(23(21)27)24(33)19-12-29-25-18(19)9-15(10-28-25)16-11-30-32(2)13-16;1-14-4-3-5-16(10-14)35(31,32)29-20-7-6-19(25)21(22(20)26)23(30)18-13-28-24-17(18)11-15(12-27-24)34-9-8-33-2;1-31-12-3-2-4-13(8-12)32(29,30)27-17-6-5-16(23)18(19(17)24)20(28)15-10-26-21-14(15)7-11(22)9-25-21;3*1-11-3-2-4-13(7-11)31(29,30)27-17-6-5-16(23)18(19(17)24)20(28)15-10-26-21-14(15)8-12(22)9-25-21/h3-13,31H,1-2H3,(H,28,29);3-7,10-13,29H,8-9H2,1-2H3,(H,27,28);2-10,27H,1H3,(H,25,26);3*2-10,27H,1H3,(H,25,26).

What are the key properties of N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-3-methoxybenzenesulfonamide;tris(N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-3-methylbenzenesulfonamide);N-[2,4-difluoro-3-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-methylbenzenesulfonamide;N-[2,4-difluoro-3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-methylbenzenesulfonamide?

N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-3-methoxybenzenesulfonamide;tris(N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-3-methylbenzenesulfonamide);N-[2,4-difluoro-3-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-methylbenzenesulfonamide;N-[2,4-difluoro-3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-methylbenzenesulfonamide has a molecular weight of 2872.54 g/mol, XLogP of 27.83, 36 rotatable bonds, 12 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-3-methoxybenzenesulfonamide;tris(N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-3-methylbenzenesulfonamide);N-[2,4-difluoro-3-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-methylbenzenesulfonamide;N-[2,4-difluoro-3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 160937605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).