3-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-propan-2-ylbenzenesulfonamide;4-chloro-N-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;3,4-dichloro-N-[5-methyl-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;N-[2-(7-hydroxy-5-methoxypyrrolo[2,3-b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide

C105H76Cl8F6N20O17S5 — CID 159295632

About 3-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-propan-2-ylbenzenesulfonamide;4-chloro-N-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;3,4-dichloro-N-[5-methyl-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;N-[2-(7-hydroxy-5-methoxypyrrolo[2,3-b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide

3-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-propan-2-ylbenzenesulfonamide;4-chloro-N-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;3,4-dichloro-N-[5-methyl-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;N-[2-(7-hydroxy-5-methoxypyrrolo[2,3-b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 159295632) has the molecular formula C105H76Cl8F6N20O17S5 and a molecular weight of 2447.83 g/mol. Its IUPAC name is 3-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-propan-2-ylbenzenesulfonamide;4-chloro-N-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;3,4-dichloro-N-[5-methyl-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;N-[2-(7-hydroxy-5-methoxypyrrolo[2,3-b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

• Compound Name: 3-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-propan-2-ylbenzenesulfonamide;4-chloro-N-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;3,4-dichloro-N-[5-methyl-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;N-[2-(7-hydroxy-5-methoxypyrrolo[2,3-b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide
• PubChem CID: 159295632
• Molecular Formula: C105H76Cl8F6N20O17S5
• Molecular Weight: 2447.83 g/mol
• Exact Mass: 2442.17
• IUPAC Name: 3-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-propan-2-ylbenzenesulfonamide;4-chloro-N-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;3,4-dichloro-N-[5-methyl-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;N-[2-(7-hydroxy-5-methoxypyrrolo[2,3-b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide
• SMILES: CC(C)c1cc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2ccnc3[nH]ccc23)ccc1Cl.COc1cn(O)c2nccc-2c1C(=O)c1ncc(C)cc1NS(=O)(=O)c1ccc(C)c(C(F)(F)F)c1.Cc1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2ccnc3[nH]ccc23)cc1Cl.Cc1cnc(C(=O)c2ccnc3[nH]ccc23)c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1.O=C(c1ncccc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1c(Cl)cnc2[nH]ccc12
• InChI: InChI=1S/C23H19F3N4O5S.C22H18Cl2N4O3S.C20H11Cl2F3N4O3S.2C20H14Cl2N4O3S/c1-12-8-17(29-36(33,34)14-5-4-13(2)16(9-14)23(24,25)26)20(28-10-12)21(31)19-15-6-7-27-22(15)30(32)11-18(19)35-3;1-12(2)17-10-14(3-4-18(17)24)32(30,31)28-19-9-13(23)11-27-20(19)21(29)15-5-7-25-22-16(15)6-8-26-22;21-13-4-3-10(8-12(13)20(23,24)25)33(31,32)29-15-2-1-6-26-17(15)18(30)16-11-5-7-27-19(11)28-9-14(16)22;1-11-8-17(26-30(28,29)12-2-3-15(21)16(22)9-12)18(25-10-11)19(27)13-4-6-23-20-14(13)5-7-24-20;1-11-2-3-13(9-16(11)22)30(28,29)26-17-8-12(21)10-25-18(17)19(27)14-4-6-23-20-15(14)5-7-24-20/h4-11,29,32H,1-3H3;3-12,28H,1-2H3,(H,25,26);1-9,29H,(H,27,28);2*2-10,26H,1H3,(H,23,24)
• InChIKey: BFFKYWBZFXAWQW-UHFFFAOYSA-N
• XLogP: 24.24
• TPSA: 542.65 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 28
• Rotatable Bonds: 27
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2447.83
LogP ≤ 5	24.24
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-propan-2-ylbenzenesulfonamide;4-chloro-N-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;3,4-dichloro-N-[5-methyl-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;N-[2-(7-hydroxy-5-methoxypyrrolo[2,3-b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide?

The IUPAC name of 3-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-propan-2-ylbenzenesulfonamide;4-chloro-N-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;3,4-dichloro-N-[5-methyl-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;N-[2-(7-hydroxy-5-methoxypyrrolo[2,3-b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide (CID 159295632) is 3-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-propan-2-ylbenzenesulfonamide;4-chloro-N-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;3,4-dichloro-N-[5-methyl-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;N-[2-(7-hydroxy-5-methoxypyrrolo[2,3-b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide.

What is the SMILES notation for 3-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-propan-2-ylbenzenesulfonamide;4-chloro-N-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;3,4-dichloro-N-[5-methyl-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;N-[2-(7-hydroxy-5-methoxypyrrolo[2,3-b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide?

The canonical SMILES for 3-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-propan-2-ylbenzenesulfonamide;4-chloro-N-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;3,4-dichloro-N-[5-methyl-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;N-[2-(7-hydroxy-5-methoxypyrrolo[2,3-b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide is CC(C)c1cc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2ccnc3[nH]ccc23)ccc1Cl.COc1cn(O)c2nccc-2c1C(=O)c1ncc(C)cc1NS(=O)(=O)c1ccc(C)c(C(F)(F)F)c1.Cc1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2ccnc3[nH]ccc23)cc1Cl.Cc1cnc(C(=O)c2ccnc3[nH]ccc23)c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1.O=C(c1ncccc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1c(Cl)cnc2[nH]ccc12.

What is the InChIKey of 3-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-propan-2-ylbenzenesulfonamide;4-chloro-N-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;3,4-dichloro-N-[5-methyl-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;N-[2-(7-hydroxy-5-methoxypyrrolo[2,3-b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide?

The InChIKey is BFFKYWBZFXAWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O5S.C22H18Cl2N4O3S.C20H11Cl2F3N4O3S.2C20H14Cl2N4O3S/c1-12-8-17(29-36(33,34)14-5-4-13(2)16(9-14)23(24,25)26)20(28-10-12)21(31)19-15-6-7-27-22(15)30(32)11-18(19)35-3;1-12(2)17-10-14(3-4-18(17)24)32(30,31)28-19-9-13(23)11-27-20(19)21(29)15-5-7-25-22-16(15)6-8-26-22;21-13-4-3-10(8-12(13)20(23,24)25)33(31,32)29-15-2-1-6-26-17(15)18(30)16-11-5-7-27-19(11)28-9-14(16)22;1-11-8-17(26-30(28,29)12-2-3-15(21)16(22)9-12)18(25-10-11)19(27)13-4-6-23-20-14(13)5-7-24-20;1-11-2-3-13(9-16(11)22)30(28,29)26-17-8-12(21)10-25-18(17)19(27)14-4-6-23-20-15(14)5-7-24-20/h4-11,29,32H,1-3H3;3-12,28H,1-2H3,(H,25,26);1-9,29H,(H,27,28);2*2-10,26H,1H3,(H,23,24).

What are the key properties of 3-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-propan-2-ylbenzenesulfonamide;4-chloro-N-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;3,4-dichloro-N-[5-methyl-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;N-[2-(7-hydroxy-5-methoxypyrrolo[2,3-b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide?

3-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-propan-2-ylbenzenesulfonamide;4-chloro-N-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;3,4-dichloro-N-[5-methyl-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;N-[2-(7-hydroxy-5-methoxypyrrolo[2,3-b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 2447.83 g/mol, XLogP of 24.24, 27 rotatable bonds, 10 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-propan-2-ylbenzenesulfonamide;4-chloro-N-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;3,4-dichloro-N-[5-methyl-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;N-[2-(7-hydroxy-5-methoxypyrrolo[2,3-b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 159295632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).