N-[3-[5-(4-chlorophenyl)-7-hydroxypyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(4-chlorophenyl)-6-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide

C70H56Cl3F6N9O11S3 — CID 167567822

About N-[3-[5-(4-chlorophenyl)-7-hydroxypyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(4-chlorophenyl)-6-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide

N-[3-[5-(4-chlorophenyl)-7-hydroxypyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(4-chlorophenyl)-6-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide (PubChem CID 167567822) has the molecular formula C70H56Cl3F6N9O11S3 and a molecular weight of 1515.82 g/mol. Its IUPAC name is N-[3-[5-(4-chlorophenyl)-7-hydroxypyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(4-chlorophenyl)-6-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide.

Molecular Properties

• Compound Name: N-[3-[5-(4-chlorophenyl)-7-hydroxypyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(4-chlorophenyl)-6-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide
• PubChem CID: 167567822
• Molecular Formula: C70H56Cl3F6N9O11S3
• Molecular Weight: 1515.82 g/mol
• Exact Mass: 1513.22
• IUPAC Name: N-[3-[5-(4-chlorophenyl)-7-hydroxypyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(4-chlorophenyl)-6-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide
• SMILES: CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3nc(OC)c(-c4ccc(Cl)cc4)cc23)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2cnc3n(O)cc(-c4ccc(Cl)cc4)cc2-3)c1F
• InChI: InChI=1S/C24H20ClF2N3O4S.C23H18ClF2N3O4S.C23H18ClF2N3O3S/c1-3-10-35(32,33)30-19-9-8-18(26)20(21(19)27)22(31)17-12-28-23-16(17)11-15(24(29-23)34-2)13-4-6-14(25)7-5-13;1-2-9-34(32,33)28-19-8-7-18(25)20(21(19)26)22(30)17-11-27-23-16(17)10-14(12-29(23)31)13-3-5-15(24)6-4-13;1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h4-9,11-12,30H,3,10H2,1-2H3,(H,28,29);3-8,10-12,28,31H,2,9H2,1H3;3-8,10-12,29H,2,9H2,1H3,(H,27,28)
• InChIKey: BPLVFZWZDBAGHV-UHFFFAOYSA-N
• XLogP: 16.30
• TPSA: 294.36 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 15
• Rotatable Bonds: 22
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1515.82
LogP ≤ 5	16.30
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(4-chlorophenyl)-7-hydroxypyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(4-chlorophenyl)-6-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide?

The IUPAC name of N-[3-[5-(4-chlorophenyl)-7-hydroxypyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(4-chlorophenyl)-6-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide (CID 167567822) is N-[3-[5-(4-chlorophenyl)-7-hydroxypyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(4-chlorophenyl)-6-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide.

What is the SMILES notation for N-[3-[5-(4-chlorophenyl)-7-hydroxypyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(4-chlorophenyl)-6-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide?

The canonical SMILES for N-[3-[5-(4-chlorophenyl)-7-hydroxypyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(4-chlorophenyl)-6-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3nc(OC)c(-c4ccc(Cl)cc4)cc23)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2cnc3n(O)cc(-c4ccc(Cl)cc4)cc2-3)c1F.

What is the InChIKey of N-[3-[5-(4-chlorophenyl)-7-hydroxypyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(4-chlorophenyl)-6-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide?

The InChIKey is BPLVFZWZDBAGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClF2N3O4S.C23H18ClF2N3O4S.C23H18ClF2N3O3S/c1-3-10-35(32,33)30-19-9-8-18(26)20(21(19)27)22(31)17-12-28-23-16(17)11-15(24(29-23)34-2)13-4-6-14(25)7-5-13;1-2-9-34(32,33)28-19-8-7-18(25)20(21(19)26)22(30)17-11-27-23-16(17)10-14(12-29(23)31)13-3-5-15(24)6-4-13;1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h4-9,11-12,30H,3,10H2,1-2H3,(H,28,29);3-8,10-12,28,31H,2,9H2,1H3;3-8,10-12,29H,2,9H2,1H3,(H,27,28).

What are the key properties of N-[3-[5-(4-chlorophenyl)-7-hydroxypyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(4-chlorophenyl)-6-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide?

N-[3-[5-(4-chlorophenyl)-7-hydroxypyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(4-chlorophenyl)-6-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide has a molecular weight of 1515.82 g/mol, XLogP of 16.30, 22 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[5-(4-chlorophenyl)-7-hydroxypyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(4-chlorophenyl)-6-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide is sourced from PubChem (CID 167567822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).