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

C129H94BrClF12N18O20S6 — CID 158071917

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

N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-3-methylbenzenesulfonamide;N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-3-methylbenzenesulfonamide;bis(N-[2,4-difluoro-3-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-methylbenzenesulfonamide);N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-ethylbenzenesulfonamide;N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-methylbenzenesulfonamide (PubChem CID 158071917) has the molecular formula C129H94BrClF12N18O20S6 and a molecular weight of 2752.01 g/mol. Its IUPAC name is N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-3-methylbenzenesulfonamide;N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-3-methylbenzenesulfonamide;bis(N-[2,4-difluoro-3-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-methylbenzenesulfonamide);N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-ethylbenzenesulfonamide;N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-methylbenzenesulfonamide.

Molecular Properties

• Compound Name: N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-3-methylbenzenesulfonamide;N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-3-methylbenzenesulfonamide;bis(N-[2,4-difluoro-3-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-methylbenzenesulfonamide);N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-ethylbenzenesulfonamide;N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-methylbenzenesulfonamide
• PubChem CID: 158071917
• Molecular Formula: C129H94BrClF12N18O20S6
• Molecular Weight: 2752.01 g/mol
• Exact Mass: 2748.39
• IUPAC Name: N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-3-methylbenzenesulfonamide;N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-3-methylbenzenesulfonamide;bis(N-[2,4-difluoro-3-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-methylbenzenesulfonamide);N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-ethylbenzenesulfonamide;N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-methylbenzenesulfonamide
• SMILES: CCc1cccc(S(=O)(=O)Nc2ccc(F)c(C(=O)c3c[nH]c4ncccc34)c2F)c1.COc1cnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4cccc(C)c4)c3F)c2c1.COc1cnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4cccc(C)c4)c3F)c2c1.Cc1cccc(S(=O)(=O)Nc2ccc(F)c(C(=O)c3c[nH]c4ncc(Br)cc34)c2F)c1.Cc1cccc(S(=O)(=O)Nc2ccc(F)c(C(=O)c3c[nH]c4ncc(Cl)cc34)c2F)c1.Cc1cccc(S(=O)(=O)Nc2ccc(F)c(C(=O)c3c[nH]c4ncccc34)c2F)c1
• InChI: InChI=1S/2C22H17F2N3O4S.C22H17F2N3O3S.C21H14BrF2N3O3S.C21H14ClF2N3O3S.C21H15F2N3O3S/c2*1-12-4-3-5-14(8-12)32(29,30)27-18-7-6-17(23)19(20(18)24)21(28)16-11-26-22-15(16)9-13(31-2)10-25-22;1-2-13-5-3-6-14(11-13)31(29,30)27-18-9-8-17(23)19(20(18)24)21(28)16-12-26-22-15(16)7-4-10-25-22;2*1-11-3-2-4-13(7-11)31(29,30)27-17-6-5-16(23)18(19(17)24)20(28)15-10-26-21-14(15)8-12(22)9-25-21;1-12-4-2-5-13(10-12)30(28,29)26-17-8-7-16(22)18(19(17)23)20(27)15-11-25-21-14(15)6-3-9-24-21/h2*3-11,27H,1-2H3,(H,25,26);3-12,27H,2H2,1H3,(H,25,26);2*2-10,27H,1H3,(H,25,26);2-11,26H,1H3,(H,24,25)
• InChIKey: FLXPYUDRUXGQFN-UHFFFAOYSA-N
• XLogP: 26.77
• TPSA: 569.98 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 26
• Rotatable Bonds: 33
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2752.01
LogP ≤ 5	26.77
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

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

The IUPAC name of N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-3-methylbenzenesulfonamide;N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-3-methylbenzenesulfonamide;bis(N-[2,4-difluoro-3-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-methylbenzenesulfonamide);N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-ethylbenzenesulfonamide;N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-methylbenzenesulfonamide (CID 158071917) is N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-3-methylbenzenesulfonamide;N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-3-methylbenzenesulfonamide;bis(N-[2,4-difluoro-3-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-methylbenzenesulfonamide);N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-ethylbenzenesulfonamide;N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-methylbenzenesulfonamide.

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

The canonical SMILES for N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-3-methylbenzenesulfonamide;N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-3-methylbenzenesulfonamide;bis(N-[2,4-difluoro-3-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-methylbenzenesulfonamide);N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-ethylbenzenesulfonamide;N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-methylbenzenesulfonamide is CCc1cccc(S(=O)(=O)Nc2ccc(F)c(C(=O)c3c[nH]c4ncccc34)c2F)c1.COc1cnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4cccc(C)c4)c3F)c2c1.COc1cnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4cccc(C)c4)c3F)c2c1.Cc1cccc(S(=O)(=O)Nc2ccc(F)c(C(=O)c3c[nH]c4ncc(Br)cc34)c2F)c1.Cc1cccc(S(=O)(=O)Nc2ccc(F)c(C(=O)c3c[nH]c4ncc(Cl)cc34)c2F)c1.Cc1cccc(S(=O)(=O)Nc2ccc(F)c(C(=O)c3c[nH]c4ncccc34)c2F)c1.

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

The InChIKey is FLXPYUDRUXGQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H17F2N3O4S.C22H17F2N3O3S.C21H14BrF2N3O3S.C21H14ClF2N3O3S.C21H15F2N3O3S/c2*1-12-4-3-5-14(8-12)32(29,30)27-18-7-6-17(23)19(20(18)24)21(28)16-11-26-22-15(16)9-13(31-2)10-25-22;1-2-13-5-3-6-14(11-13)31(29,30)27-18-9-8-17(23)19(20(18)24)21(28)16-12-26-22-15(16)7-4-10-25-22;2*1-11-3-2-4-13(7-11)31(29,30)27-17-6-5-16(23)18(19(17)24)20(28)15-10-26-21-14(15)8-12(22)9-25-21;1-12-4-2-5-13(10-12)30(28,29)26-17-8-7-16(22)18(19(17)23)20(27)15-11-25-21-14(15)6-3-9-24-21/h2*3-11,27H,1-2H3,(H,25,26);3-12,27H,2H2,1H3,(H,25,26);2*2-10,27H,1H3,(H,25,26);2-11,26H,1H3,(H,24,25).

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

N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-3-methylbenzenesulfonamide;N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-3-methylbenzenesulfonamide;bis(N-[2,4-difluoro-3-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-methylbenzenesulfonamide);N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-ethylbenzenesulfonamide;N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-methylbenzenesulfonamide has a molecular weight of 2752.01 g/mol, XLogP of 26.77, 33 rotatable bonds, 12 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-3-methylbenzenesulfonamide;N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-3-methylbenzenesulfonamide;bis(N-[2,4-difluoro-3-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-methylbenzenesulfonamide);N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-ethylbenzenesulfonamide;N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 158071917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).