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

C132H93Cl3F12N18O21S6 — CID 159774963

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

N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-(furan-2-yl)benzenesulfonamide;bis(N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-methylbenzenesulfonamide);N-[2,4-difluoro-3-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-4-methylbenzenesulfonamide;bis(N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide) (PubChem CID 159774963) has the molecular formula C132H93Cl3F12N18O21S6 and a molecular weight of 2794.04 g/mol. Its IUPAC name is N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-(furan-2-yl)benzenesulfonamide;bis(N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-methylbenzenesulfonamide);N-[2,4-difluoro-3-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-4-methylbenzenesulfonamide;bis(N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide).

Molecular Properties

• Compound Name: N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-(furan-2-yl)benzenesulfonamide;bis(N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-methylbenzenesulfonamide);N-[2,4-difluoro-3-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-4-methylbenzenesulfonamide;bis(N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide)
• PubChem CID: 159774963
• Molecular Formula: C132H93Cl3F12N18O21S6
• Molecular Weight: 2794.04 g/mol
• Exact Mass: 2790.40
• IUPAC Name: N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-(furan-2-yl)benzenesulfonamide;bis(N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-methylbenzenesulfonamide);N-[2,4-difluoro-3-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-4-methylbenzenesulfonamide;bis(N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide)
• SMILES: COCCOc1cnc2[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]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.O=C(c1c(F)ccc(NS(=O)(=O)c2ccc(-c3ccco3)cc2)c1F)c1c[nH]c2ncc(Cl)cc12
• InChI: InChI=1S/C24H14ClF2N3O4S.C24H21F2N3O5S.2C21H14ClF2N3O3S.2C21H15F2N3O3S/c25-14-10-16-17(12-29-24(16)28-11-14)23(31)21-18(26)7-8-19(22(21)27)30-35(32,33)15-5-3-13(4-6-15)20-2-1-9-34-20;1-14-3-5-16(6-4-14)35(31,32)29-20-8-7-19(25)21(22(20)26)23(30)18-13-28-24-17(18)11-15(12-27-24)34-10-9-33-2;2*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/h1-12,30H,(H,28,29);3-8,11-13,29H,9-10H2,1-2H3,(H,27,28);2*2-10,27H,1H3,(H,25,26);2*2-11,26H,1H3,(H,24,25)
• InChIKey: NGPQNOHSSDSIHI-UHFFFAOYSA-N
• XLogP: 28.02
• TPSA: 583.12 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 27
• Rotatable Bonds: 35
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2794.04
LogP ≤ 5	28.02
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	27

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]-4-(furan-2-yl)benzenesulfonamide;bis(N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-methylbenzenesulfonamide);N-[2,4-difluoro-3-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-4-methylbenzenesulfonamide;bis(N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide)?

The IUPAC name of N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-(furan-2-yl)benzenesulfonamide;bis(N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-methylbenzenesulfonamide);N-[2,4-difluoro-3-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-4-methylbenzenesulfonamide;bis(N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide) (CID 159774963) is N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-(furan-2-yl)benzenesulfonamide;bis(N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-methylbenzenesulfonamide);N-[2,4-difluoro-3-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-4-methylbenzenesulfonamide;bis(N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide).

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

The canonical SMILES for N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-(furan-2-yl)benzenesulfonamide;bis(N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-methylbenzenesulfonamide);N-[2,4-difluoro-3-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-4-methylbenzenesulfonamide;bis(N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide) is COCCOc1cnc2[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]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.O=C(c1c(F)ccc(NS(=O)(=O)c2ccc(-c3ccco3)cc2)c1F)c1c[nH]c2ncc(Cl)cc12.

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

The InChIKey is NGPQNOHSSDSIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14ClF2N3O4S.C24H21F2N3O5S.2C21H14ClF2N3O3S.2C21H15F2N3O3S/c25-14-10-16-17(12-29-24(16)28-11-14)23(31)21-18(26)7-8-19(22(21)27)30-35(32,33)15-5-3-13(4-6-15)20-2-1-9-34-20;1-14-3-5-16(6-4-14)35(31,32)29-20-8-7-19(25)21(22(20)26)23(30)18-13-28-24-17(18)11-15(12-27-24)34-10-9-33-2;2*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/h1-12,30H,(H,28,29);3-8,11-13,29H,9-10H2,1-2H3,(H,27,28);2*2-10,27H,1H3,(H,25,26);2*2-11,26H,1H3,(H,24,25).

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

N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-(furan-2-yl)benzenesulfonamide;bis(N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-methylbenzenesulfonamide);N-[2,4-difluoro-3-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-4-methylbenzenesulfonamide;bis(N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide) has a molecular weight of 2794.04 g/mol, XLogP of 28.02, 35 rotatable bonds, 12 hydrogen bond donors, and 27 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]-4-(furan-2-yl)benzenesulfonamide;bis(N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-methylbenzenesulfonamide);N-[2,4-difluoro-3-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-4-methylbenzenesulfonamide;bis(N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide) is sourced from PubChem (CID 159774963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).