N-[3-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;N-[3-(2,5-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;N-[3-(3,5-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(3-propan-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide

C95H81ClF12N16O12S4 — CID 158568286

About N-[3-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;N-[3-(2,5-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;N-[3-(3,5-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(3-propan-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide

N-[3-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;N-[3-(2,5-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;N-[3-(3,5-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(3-propan-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide (PubChem CID 158568286) has the molecular formula C95H81ClF12N16O12S4 and a molecular weight of 2030.49 g/mol. Its IUPAC name is N-[3-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;N-[3-(2,5-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;N-[3-(3,5-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(3-propan-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide.

Molecular Properties

• Compound Name: N-[3-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;N-[3-(2,5-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;N-[3-(3,5-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(3-propan-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide
• PubChem CID: 158568286
• Molecular Formula: C95H81ClF12N16O12S4
• Molecular Weight: 2030.49 g/mol
• Exact Mass: 2028.46
• IUPAC Name: N-[3-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;N-[3-(2,5-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;N-[3-(3,5-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(3-propan-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide
• SMILES: CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]cc(-c4cc(F)cc(F)c4)c3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]cc(-c4cc(F)ccc4F)c3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]cc(-c4cccc(C(C)C)c4)c3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]cc(-c4cccc(Cl)c4)c3c2)c1F
• InChI: InChI=1S/C26H26F2N4O3S.C23H19ClF2N4O3S.2C23H18F4N4O3S/c1-4-10-36(34,35)32-22-9-8-21(27)23(24(22)28)26(33)31-18-12-19-20(14-30-25(19)29-13-18)17-7-5-6-16(11-17)15(2)3;1-2-8-34(32,33)30-19-7-6-18(25)20(21(19)26)23(31)29-15-10-16-17(12-28-22(16)27-11-15)13-4-3-5-14(24)9-13;1-2-7-35(33,34)31-19-6-5-18(26)20(21(19)27)23(32)30-13-9-15-16(11-29-22(15)28-10-13)14-8-12(24)3-4-17(14)25;1-2-5-35(33,34)31-19-4-3-18(26)20(21(19)27)23(32)30-15-9-16-17(11-29-22(16)28-10-15)12-6-13(24)8-14(25)7-12/h5-9,11-15,32H,4,10H2,1-3H3,(H,29,30)(H,31,33);3-7,9-12,30H,2,8H2,1H3,(H,27,28)(H,29,31);3-6,8-11,31H,2,7H2,1H3,(H,28,29)(H,30,32);3-4,6-11,31H,2,5H2,1H3,(H,28,29)(H,30,32)
• InChIKey: HRTIWLLSKRIIGU-UHFFFAOYSA-N
• XLogP: 21.98
• TPSA: 415.80 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 16
• Rotatable Bonds: 29
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2030.49
LogP ≤ 5	21.98
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;N-[3-(2,5-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;N-[3-(3,5-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(3-propan-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide?

The IUPAC name of N-[3-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;N-[3-(2,5-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;N-[3-(3,5-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(3-propan-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide (CID 158568286) is N-[3-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;N-[3-(2,5-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;N-[3-(3,5-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(3-propan-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide.

What is the SMILES notation for N-[3-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;N-[3-(2,5-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;N-[3-(3,5-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(3-propan-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide?

The canonical SMILES for N-[3-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;N-[3-(2,5-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;N-[3-(3,5-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(3-propan-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide is CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]cc(-c4cc(F)cc(F)c4)c3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]cc(-c4cc(F)ccc4F)c3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]cc(-c4cccc(C(C)C)c4)c3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]cc(-c4cccc(Cl)c4)c3c2)c1F.

What is the InChIKey of N-[3-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;N-[3-(2,5-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;N-[3-(3,5-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(3-propan-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide?

The InChIKey is HRTIWLLSKRIIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N4O3S.C23H19ClF2N4O3S.2C23H18F4N4O3S/c1-4-10-36(34,35)32-22-9-8-21(27)23(24(22)28)26(33)31-18-12-19-20(14-30-25(19)29-13-18)17-7-5-6-16(11-17)15(2)3;1-2-8-34(32,33)30-19-7-6-18(25)20(21(19)26)23(31)29-15-10-16-17(12-28-22(16)27-11-15)13-4-3-5-14(24)9-13;1-2-7-35(33,34)31-19-6-5-18(26)20(21(19)27)23(32)30-13-9-15-16(11-29-22(15)28-10-13)14-8-12(24)3-4-17(14)25;1-2-5-35(33,34)31-19-4-3-18(26)20(21(19)27)23(32)30-15-9-16-17(11-29-22(16)28-10-15)12-6-13(24)8-14(25)7-12/h5-9,11-15,32H,4,10H2,1-3H3,(H,29,30)(H,31,33);3-7,9-12,30H,2,8H2,1H3,(H,27,28)(H,29,31);3-6,8-11,31H,2,7H2,1H3,(H,28,29)(H,30,32);3-4,6-11,31H,2,5H2,1H3,(H,28,29)(H,30,32).

What are the key properties of N-[3-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;N-[3-(2,5-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;N-[3-(3,5-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(3-propan-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide?

N-[3-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;N-[3-(2,5-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;N-[3-(3,5-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(3-propan-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide has a molecular weight of 2030.49 g/mol, XLogP of 21.98, 29 rotatable bonds, 12 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;N-[3-(2,5-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;N-[3-(3,5-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(3-propan-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide is sourced from PubChem (CID 158568286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).