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

C77H59F6N9O12S3 — CID 162161019

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

N-[2,4-difluoro-3-[5-[4-(2-methoxyethoxy)phenyl]-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-(furan-2-yl)benzenesulfonamide;N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-propan-2-ylbenzenesulfonamide (PubChem CID 162161019) has the molecular formula C77H59F6N9O12S3 and a molecular weight of 1512.56 g/mol. Its IUPAC name is N-[2,4-difluoro-3-[5-[4-(2-methoxyethoxy)phenyl]-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-(furan-2-yl)benzenesulfonamide;N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

• Compound Name: N-[2,4-difluoro-3-[5-[4-(2-methoxyethoxy)phenyl]-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-(furan-2-yl)benzenesulfonamide;N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-propan-2-ylbenzenesulfonamide
• PubChem CID: 162161019
• Molecular Formula: C77H59F6N9O12S3
• Molecular Weight: 1512.56 g/mol
• Exact Mass: 1511.33
• IUPAC Name: N-[2,4-difluoro-3-[5-[4-(2-methoxyethoxy)phenyl]-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-(furan-2-yl)benzenesulfonamide;N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-propan-2-ylbenzenesulfonamide
• SMILES: CC(C)c1ccc(S(=O)(=O)Nc2ccc(F)c(C(=O)c3c[nH]c4ncccc34)c2F)cc1.COCCOc1ccc(-c2cnc3[nH]cc(C(=O)c4c(F)ccc(NS(=O)(=O)c5ccc(C)cc5)c4F)c3c2)cc1.O=C(c1c(F)ccc(NS(=O)(=O)c2ccc(-c3ccco3)cc2)c1F)c1c[nH]c2ncccc12
• InChI: InChI=1S/C30H25F2N3O5S.C24H15F2N3O4S.C23H19F2N3O3S/c1-18-3-9-22(10-4-18)41(37,38)35-26-12-11-25(31)27(28(26)32)29(36)24-17-34-30-23(24)15-20(16-33-30)19-5-7-21(8-6-19)40-14-13-39-2;25-18-9-10-19(22(26)21(18)23(30)17-13-28-24-16(17)3-1-11-27-24)29-34(31,32)15-7-5-14(6-8-15)20-4-2-12-33-20;1-13(2)14-5-7-15(8-6-14)32(30,31)28-19-10-9-18(24)20(21(19)25)22(29)17-12-27-23-16(17)4-3-11-26-23/h3-12,15-17,35H,13-14H2,1-2H3,(H,33,34);1-13,29H,(H,27,28);3-13,28H,1-2H3,(H,26,27)
• InChIKey: ZMMFCCCTDPUDLH-UHFFFAOYSA-N
• XLogP: 16.00
• TPSA: 307.36 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 15
• Rotatable Bonds: 22
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1512.56
LogP ≤ 5	16.00
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2,4-difluoro-3-[5-[4-(2-methoxyethoxy)phenyl]-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-(furan-2-yl)benzenesulfonamide;N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-propan-2-ylbenzenesulfonamide?

The IUPAC name of N-[2,4-difluoro-3-[5-[4-(2-methoxyethoxy)phenyl]-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-(furan-2-yl)benzenesulfonamide;N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-propan-2-ylbenzenesulfonamide (CID 162161019) is N-[2,4-difluoro-3-[5-[4-(2-methoxyethoxy)phenyl]-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-(furan-2-yl)benzenesulfonamide;N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-propan-2-ylbenzenesulfonamide.

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

The canonical SMILES for N-[2,4-difluoro-3-[5-[4-(2-methoxyethoxy)phenyl]-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-(furan-2-yl)benzenesulfonamide;N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-propan-2-ylbenzenesulfonamide is CC(C)c1ccc(S(=O)(=O)Nc2ccc(F)c(C(=O)c3c[nH]c4ncccc34)c2F)cc1.COCCOc1ccc(-c2cnc3[nH]cc(C(=O)c4c(F)ccc(NS(=O)(=O)c5ccc(C)cc5)c4F)c3c2)cc1.O=C(c1c(F)ccc(NS(=O)(=O)c2ccc(-c3ccco3)cc2)c1F)c1c[nH]c2ncccc12.

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

The InChIKey is ZMMFCCCTDPUDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25F2N3O5S.C24H15F2N3O4S.C23H19F2N3O3S/c1-18-3-9-22(10-4-18)41(37,38)35-26-12-11-25(31)27(28(26)32)29(36)24-17-34-30-23(24)15-20(16-33-30)19-5-7-21(8-6-19)40-14-13-39-2;25-18-9-10-19(22(26)21(18)23(30)17-13-28-24-16(17)3-1-11-27-24)29-34(31,32)15-7-5-14(6-8-15)20-4-2-12-33-20;1-13(2)14-5-7-15(8-6-14)32(30,31)28-19-10-9-18(24)20(21(19)25)22(29)17-12-27-23-16(17)4-3-11-26-23/h3-12,15-17,35H,13-14H2,1-2H3,(H,33,34);1-13,29H,(H,27,28);3-13,28H,1-2H3,(H,26,27).

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

N-[2,4-difluoro-3-[5-[4-(2-methoxyethoxy)phenyl]-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-(furan-2-yl)benzenesulfonamide;N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-propan-2-ylbenzenesulfonamide has a molecular weight of 1512.56 g/mol, XLogP of 16.00, 22 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2,4-difluoro-3-[5-[4-(2-methoxyethoxy)phenyl]-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-(furan-2-yl)benzenesulfonamide;N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 162161019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).