N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-4-methylbenzenesulfonamide;N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-ethylbenzenesulfonamide;N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-methylbenzenesulfonamide;N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-propan-2-ylbenzenesulfonamide;bis(N-[2,4-difluoro-3-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide);N-[3-(5-ethyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-methylbenzenesulfonamide

C160H119Cl4F14N21O23S7 — CID 158467203

About N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-4-methylbenzenesulfonamide;N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-ethylbenzenesulfonamide;N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-methylbenzenesulfonamide;N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-propan-2-ylbenzenesulfonamide;bis(N-[2,4-difluoro-3-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide);N-[3-(5-ethyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-methylbenzenesulfonamide

N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-4-methylbenzenesulfonamide;N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-ethylbenzenesulfonamide;N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-methylbenzenesulfonamide;N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-propan-2-ylbenzenesulfonamide;bis(N-[2,4-difluoro-3-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide);N-[3-(5-ethyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-methylbenzenesulfonamide (PubChem CID 158467203) has the molecular formula C160H119Cl4F14N21O23S7 and a molecular weight of 3336.09 g/mol. Its IUPAC name is N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-4-methylbenzenesulfonamide;N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-ethylbenzenesulfonamide;N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-methylbenzenesulfonamide;N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-propan-2-ylbenzenesulfonamide;bis(N-[2,4-difluoro-3-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide);N-[3-(5-ethyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-methylbenzenesulfonamide.

Molecular Properties

• Compound Name: N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-4-methylbenzenesulfonamide;N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-ethylbenzenesulfonamide;N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-methylbenzenesulfonamide;N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-propan-2-ylbenzenesulfonamide;bis(N-[2,4-difluoro-3-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide);N-[3-(5-ethyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-methylbenzenesulfonamide
• PubChem CID: 158467203
• Molecular Formula: C160H119Cl4F14N21O23S7
• Molecular Weight: 3336.09 g/mol
• Exact Mass: 3331.54
• IUPAC Name: N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-4-methylbenzenesulfonamide;N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-ethylbenzenesulfonamide;N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-methylbenzenesulfonamide;N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-propan-2-ylbenzenesulfonamide;bis(N-[2,4-difluoro-3-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide);N-[3-(5-ethyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-methylbenzenesulfonamide
• SMILES: CC(C)c1ccc(S(=O)(=O)Nc2ccc(F)c(C(=O)c3c[nH]c4ncc(Cl)cc34)c2F)cc1.CCc1ccc(S(=O)(=O)Nc2ccc(F)c(C(=O)c3c[nH]c4ncc(Cl)cc34)c2F)cc1.CCc1cnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(C)cc4)c3F)c2c1.COc1cnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(C)cc4)c3F)c2c1.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(-c5ccc(Cl)cc5)cc34)c2F)cc1.Cc1ccc(S(=O)(=O)Nc2ccc(F)c(C(=O)c3c[nH]c4ncc(Cl)cc34)c2F)cc1
• InChI: InChI=1S/C27H18ClF2N3O3S.C23H18ClF2N3O3S.C23H19F2N3O3S.C22H16ClF2N3O3S.2C22H17F2N3O4S.C21H14ClF2N3O3S/c1-15-2-8-19(9-3-15)37(35,36)33-23-11-10-22(29)24(25(23)30)26(34)21-14-32-27-20(21)12-17(13-31-27)16-4-6-18(28)7-5-16;1-12(2)13-3-5-15(6-4-13)33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-11-28-23-16(17)9-14(24)10-27-23;1-3-14-10-16-17(12-27-23(16)26-11-14)22(29)20-18(24)8-9-19(21(20)25)28-32(30,31)15-6-4-13(2)5-7-15;1-2-12-3-5-14(6-4-12)32(30,31)28-18-8-7-17(24)19(20(18)25)21(29)16-11-27-22-15(16)9-13(23)10-26-22;2*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;1-11-2-4-13(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/h2-14,33H,1H3,(H,31,32);3-12,29H,1-2H3,(H,27,28);4-12,28H,3H2,1-2H3,(H,26,27);3-11,28H,2H2,1H3,(H,26,27);2*3-11,27H,1-2H3,(H,25,26);2-10,27H,1H3,(H,25,26)
• InChIKey: HFXCQLUDAFMXTA-UHFFFAOYSA-N
• XLogP: 35.20
• TPSA: 661.90 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 30
• Rotatable Bonds: 41
• Heavy Atoms: 229
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3336.09
LogP ≤ 5	35.20
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

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

The IUPAC name of N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-4-methylbenzenesulfonamide;N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-ethylbenzenesulfonamide;N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-methylbenzenesulfonamide;N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-propan-2-ylbenzenesulfonamide;bis(N-[2,4-difluoro-3-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide);N-[3-(5-ethyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-methylbenzenesulfonamide (CID 158467203) is N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-4-methylbenzenesulfonamide;N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-ethylbenzenesulfonamide;N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-methylbenzenesulfonamide;N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-propan-2-ylbenzenesulfonamide;bis(N-[2,4-difluoro-3-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide);N-[3-(5-ethyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-methylbenzenesulfonamide.

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

The canonical SMILES for N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-4-methylbenzenesulfonamide;N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-ethylbenzenesulfonamide;N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-methylbenzenesulfonamide;N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-propan-2-ylbenzenesulfonamide;bis(N-[2,4-difluoro-3-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide);N-[3-(5-ethyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-methylbenzenesulfonamide is CC(C)c1ccc(S(=O)(=O)Nc2ccc(F)c(C(=O)c3c[nH]c4ncc(Cl)cc34)c2F)cc1.CCc1ccc(S(=O)(=O)Nc2ccc(F)c(C(=O)c3c[nH]c4ncc(Cl)cc34)c2F)cc1.CCc1cnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(C)cc4)c3F)c2c1.COc1cnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(C)cc4)c3F)c2c1.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(-c5ccc(Cl)cc5)cc34)c2F)cc1.Cc1ccc(S(=O)(=O)Nc2ccc(F)c(C(=O)c3c[nH]c4ncc(Cl)cc34)c2F)cc1.

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

The InChIKey is HFXCQLUDAFMXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18ClF2N3O3S.C23H18ClF2N3O3S.C23H19F2N3O3S.C22H16ClF2N3O3S.2C22H17F2N3O4S.C21H14ClF2N3O3S/c1-15-2-8-19(9-3-15)37(35,36)33-23-11-10-22(29)24(25(23)30)26(34)21-14-32-27-20(21)12-17(13-31-27)16-4-6-18(28)7-5-16;1-12(2)13-3-5-15(6-4-13)33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-11-28-23-16(17)9-14(24)10-27-23;1-3-14-10-16-17(12-27-23(16)26-11-14)22(29)20-18(24)8-9-19(21(20)25)28-32(30,31)15-6-4-13(2)5-7-15;1-2-12-3-5-14(6-4-12)32(30,31)28-18-8-7-17(24)19(20(18)25)21(29)16-11-27-22-15(16)9-13(23)10-26-22;2*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;1-11-2-4-13(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/h2-14,33H,1H3,(H,31,32);3-12,29H,1-2H3,(H,27,28);4-12,28H,3H2,1-2H3,(H,26,27);3-11,28H,2H2,1H3,(H,26,27);2*3-11,27H,1-2H3,(H,25,26);2-10,27H,1H3,(H,25,26).

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

N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-4-methylbenzenesulfonamide;N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-ethylbenzenesulfonamide;N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-methylbenzenesulfonamide;N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-propan-2-ylbenzenesulfonamide;bis(N-[2,4-difluoro-3-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide);N-[3-(5-ethyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-methylbenzenesulfonamide has a molecular weight of 3336.09 g/mol, XLogP of 35.20, 41 rotatable bonds, 14 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-4-methylbenzenesulfonamide;N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-ethylbenzenesulfonamide;N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-methylbenzenesulfonamide;N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-propan-2-ylbenzenesulfonamide;bis(N-[2,4-difluoro-3-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide);N-[3-(5-ethyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 158467203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).