4-butoxy-N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]benzenesulfonamide;N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-methoxybenzenesulfonamide;N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-methylbenzenesulfonamide;N-[2,4-difluoro-3-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-ethylbenzenesulfonamide;bis(N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide)

C152H113Cl2F14N21O24S7 — CID 159162832

About 4-butoxy-N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]benzenesulfonamide;N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-methoxybenzenesulfonamide;N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-methylbenzenesulfonamide;N-[2,4-difluoro-3-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-ethylbenzenesulfonamide;bis(N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide)

4-butoxy-N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]benzenesulfonamide;N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-methoxybenzenesulfonamide;N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-methylbenzenesulfonamide;N-[2,4-difluoro-3-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-ethylbenzenesulfonamide;bis(N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide) (PubChem CID 159162832) has the molecular formula C152H113Cl2F14N21O24S7 and a molecular weight of 3179.05 g/mol. Its IUPAC name is 4-butoxy-N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]benzenesulfonamide;N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-methoxybenzenesulfonamide;N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-methylbenzenesulfonamide;N-[2,4-difluoro-3-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-ethylbenzenesulfonamide;bis(N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide).

Molecular Properties

• Compound Name: 4-butoxy-N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]benzenesulfonamide;N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-methoxybenzenesulfonamide;N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-methylbenzenesulfonamide;N-[2,4-difluoro-3-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-ethylbenzenesulfonamide;bis(N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide)
• PubChem CID: 159162832
• Molecular Formula: C152H113Cl2F14N21O24S7
• Molecular Weight: 3179.05 g/mol
• Exact Mass: 3175.55
• IUPAC Name: 4-butoxy-N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]benzenesulfonamide;N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-methoxybenzenesulfonamide;N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-methylbenzenesulfonamide;N-[2,4-difluoro-3-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-ethylbenzenesulfonamide;bis(N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide)
• SMILES: CCCCOc1ccc(S(=O)(=O)Nc2ccc(F)c(C(=O)c3c[nH]c4ncccc34)c2F)cc1.CCc1ccc(S(=O)(=O)Nc2ccc(F)c(C(=O)c3c[nH]c4ncccc34)c2F)cc1.COc1ccc(S(=O)(=O)Nc2ccc(F)c(C(=O)c3c[nH]c4ncc(Cl)cc34)c2F)cc1.COc1cnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(C)cc4)c3F)c2c1.Cc1ccc(S(=O)(=O)Nc2ccc(F)c(C(=O)c3c[nH]c4ncc(Cl)cc34)c2F)cc1.Cc1ccc(S(=O)(=O)Nc2ccc(F)c(C(=O)c3c[nH]c4ncccc34)c2F)cc1.Cc1ccc(S(=O)(=O)Nc2ccc(F)c(C(=O)c3c[nH]c4ncccc34)c2F)cc1
• InChI: InChI=1S/C24H21F2N3O4S.C22H17F2N3O4S.C22H17F2N3O3S.C21H14ClF2N3O4S.C21H14ClF2N3O3S.2C21H15F2N3O3S/c1-2-3-13-33-15-6-8-16(9-7-15)34(31,32)29-20-11-10-19(25)21(22(20)26)23(30)18-14-28-24-17(18)5-4-12-27-24;1-12-3-5-14(6-4-12)32(29,30)27-18-8-7-17(23)19(20(18)24)21(28)16-11-26-22-15(16)9-13(31-2)10-25-22;1-2-13-5-7-14(8-6-13)31(29,30)27-18-10-9-17(23)19(20(18)24)21(28)16-12-26-22-15(16)4-3-11-25-22;1-31-12-2-4-13(5-3-12)32(29,30)27-17-7-6-16(23)18(19(17)24)20(28)15-10-26-21-14(15)8-11(22)9-25-21;1-11-2-4-13(5-3-11)31(29,30)27-17-7-6-16(23)18(19(17)24)20(28)15-10-26-21-14(15)8-12(22)9-25-21;2*1-12-4-6-13(7-5-12)30(28,29)26-17-9-8-16(22)18(19(17)23)20(27)15-11-25-21-14(15)3-2-10-24-21/h4-12,14,29H,2-3,13H2,1H3,(H,27,28);3-11,27H,1-2H3,(H,25,26);3-12,27H,2H2,1H3,(H,25,26);2-10,27H,1H3,(H,25,26);2-10,27H,1H3,(H,25,26);2*2-11,26H,1H3,(H,24,25)
• InChIKey: KKSDCBYBUJHMLX-UHFFFAOYSA-N
• XLogP: 31.41
• TPSA: 671.13 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 31
• Rotatable Bonds: 42
• Heavy Atoms: 220
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3179.05
LogP ≤ 5	31.41
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]benzenesulfonamide;N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-methoxybenzenesulfonamide;N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-methylbenzenesulfonamide;N-[2,4-difluoro-3-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-ethylbenzenesulfonamide;bis(N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide)?

The IUPAC name of 4-butoxy-N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]benzenesulfonamide;N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-methoxybenzenesulfonamide;N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-methylbenzenesulfonamide;N-[2,4-difluoro-3-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-ethylbenzenesulfonamide;bis(N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide) (CID 159162832) is 4-butoxy-N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]benzenesulfonamide;N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-methoxybenzenesulfonamide;N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-methylbenzenesulfonamide;N-[2,4-difluoro-3-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-ethylbenzenesulfonamide;bis(N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide).

What is the SMILES notation for 4-butoxy-N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]benzenesulfonamide;N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-methoxybenzenesulfonamide;N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-methylbenzenesulfonamide;N-[2,4-difluoro-3-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-ethylbenzenesulfonamide;bis(N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide)?

The canonical SMILES for 4-butoxy-N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]benzenesulfonamide;N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-methoxybenzenesulfonamide;N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-methylbenzenesulfonamide;N-[2,4-difluoro-3-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-ethylbenzenesulfonamide;bis(N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide) is CCCCOc1ccc(S(=O)(=O)Nc2ccc(F)c(C(=O)c3c[nH]c4ncccc34)c2F)cc1.CCc1ccc(S(=O)(=O)Nc2ccc(F)c(C(=O)c3c[nH]c4ncccc34)c2F)cc1.COc1ccc(S(=O)(=O)Nc2ccc(F)c(C(=O)c3c[nH]c4ncc(Cl)cc34)c2F)cc1.COc1cnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(C)cc4)c3F)c2c1.Cc1ccc(S(=O)(=O)Nc2ccc(F)c(C(=O)c3c[nH]c4ncc(Cl)cc34)c2F)cc1.Cc1ccc(S(=O)(=O)Nc2ccc(F)c(C(=O)c3c[nH]c4ncccc34)c2F)cc1.Cc1ccc(S(=O)(=O)Nc2ccc(F)c(C(=O)c3c[nH]c4ncccc34)c2F)cc1.

What is the InChIKey of 4-butoxy-N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]benzenesulfonamide;N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-methoxybenzenesulfonamide;N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-methylbenzenesulfonamide;N-[2,4-difluoro-3-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-ethylbenzenesulfonamide;bis(N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide)?

The InChIKey is KKSDCBYBUJHMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N3O4S.C22H17F2N3O4S.C22H17F2N3O3S.C21H14ClF2N3O4S.C21H14ClF2N3O3S.2C21H15F2N3O3S/c1-2-3-13-33-15-6-8-16(9-7-15)34(31,32)29-20-11-10-19(25)21(22(20)26)23(30)18-14-28-24-17(18)5-4-12-27-24;1-12-3-5-14(6-4-12)32(29,30)27-18-8-7-17(23)19(20(18)24)21(28)16-11-26-22-15(16)9-13(31-2)10-25-22;1-2-13-5-7-14(8-6-13)31(29,30)27-18-10-9-17(23)19(20(18)24)21(28)16-12-26-22-15(16)4-3-11-25-22;1-31-12-2-4-13(5-3-12)32(29,30)27-17-7-6-16(23)18(19(17)24)20(28)15-10-26-21-14(15)8-11(22)9-25-21;1-11-2-4-13(5-3-11)31(29,30)27-17-7-6-16(23)18(19(17)24)20(28)15-10-26-21-14(15)8-12(22)9-25-21;2*1-12-4-6-13(7-5-12)30(28,29)26-17-9-8-16(22)18(19(17)23)20(27)15-11-25-21-14(15)3-2-10-24-21/h4-12,14,29H,2-3,13H2,1H3,(H,27,28);3-11,27H,1-2H3,(H,25,26);3-12,27H,2H2,1H3,(H,25,26);2-10,27H,1H3,(H,25,26);2-10,27H,1H3,(H,25,26);2*2-11,26H,1H3,(H,24,25).

What are the key properties of 4-butoxy-N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]benzenesulfonamide;N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-methoxybenzenesulfonamide;N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-methylbenzenesulfonamide;N-[2,4-difluoro-3-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-ethylbenzenesulfonamide;bis(N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide)?

4-butoxy-N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]benzenesulfonamide;N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-methoxybenzenesulfonamide;N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-methylbenzenesulfonamide;N-[2,4-difluoro-3-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-ethylbenzenesulfonamide;bis(N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide) has a molecular weight of 3179.05 g/mol, XLogP of 31.41, 42 rotatable bonds, 14 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 4-butoxy-N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]benzenesulfonamide;N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-methoxybenzenesulfonamide;N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-methylbenzenesulfonamide;N-[2,4-difluoro-3-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-ethylbenzenesulfonamide;bis(N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide) is sourced from PubChem (CID 159162832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).