4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-(7-hydroxy-5-methoxypyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-(7-hydroxypyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide

C86H58Cl5F12N15O16S4 — CID 159383036

About 4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-(7-hydroxy-5-methoxypyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-(7-hydroxypyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide

4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-(7-hydroxy-5-methoxypyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-(7-hydroxypyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 159383036) has the molecular formula C86H58Cl5F12N15O16S4 and a molecular weight of 2091.01 g/mol. Its IUPAC name is 4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-(7-hydroxy-5-methoxypyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-(7-hydroxypyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

• Compound Name: 4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-(7-hydroxy-5-methoxypyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-(7-hydroxypyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide
• PubChem CID: 159383036
• Molecular Formula: C86H58Cl5F12N15O16S4
• Molecular Weight: 2091.01 g/mol
• Exact Mass: 2087.13
• IUPAC Name: 4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-(7-hydroxy-5-methoxypyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-(7-hydroxypyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide
• SMILES: COc1cn(O)c2nccc-2c1C(=O)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(C)c(C(F)(F)F)c1.COc1cnc2[nH]ccc2c1C(=O)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(C)c(C(F)(F)F)c1.Cc1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2ccn(O)c3nccc2-3)cc1C(F)(F)F.O=C(c1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ccnc2[nH]ccc12
• InChI: InChI=1S/C22H16ClF3N4O5S.C22H16ClF3N4O4S.C21H12Cl2F3N3O3S.C21H14ClF3N4O4S/c1-11-3-4-13(8-15(11)22(24,25)26)36(33,34)29-16-7-12(23)9-28-19(16)20(31)18-14-5-6-27-21(14)30(32)10-17(18)35-2;1-11-3-4-13(8-15(11)22(24,25)26)35(32,33)30-16-7-12(23)9-28-19(16)20(31)18-14-5-6-27-21(14)29-10-17(18)34-2;22-11-1-3-15(19(30)13-5-7-27-20-14(13)6-8-28-20)18(9-11)29-33(31,32)12-2-4-17(23)16(10-12)21(24,25)26;1-11-2-3-13(9-16(11)21(23,24)25)34(32,33)28-17-8-12(22)10-27-18(17)19(30)14-5-7-29(31)20-15(14)4-6-26-20/h3-10,29,32H,1-2H3;3-10,30H,1-2H3,(H,27,29);1-10,29H,(H,27,28);2-10,28,31H,1H3
• InChIKey: DPYQSQBKTZCABA-UHFFFAOYSA-N
• XLogP: 20.17
• TPSA: 443.55 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 25
• Rotatable Bonds: 22
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2091.01
LogP ≤ 5	20.17
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-(7-hydroxy-5-methoxypyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-(7-hydroxypyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide (CID 159383036) is 4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-(7-hydroxy-5-methoxypyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-(7-hydroxypyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide.

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

The canonical SMILES for 4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-(7-hydroxy-5-methoxypyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-(7-hydroxypyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide is COc1cn(O)c2nccc-2c1C(=O)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(C)c(C(F)(F)F)c1.COc1cnc2[nH]ccc2c1C(=O)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(C)c(C(F)(F)F)c1.Cc1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2ccn(O)c3nccc2-3)cc1C(F)(F)F.O=C(c1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ccnc2[nH]ccc12.

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

The InChIKey is DPYQSQBKTZCABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClF3N4O5S.C22H16ClF3N4O4S.C21H12Cl2F3N3O3S.C21H14ClF3N4O4S/c1-11-3-4-13(8-15(11)22(24,25)26)36(33,34)29-16-7-12(23)9-28-19(16)20(31)18-14-5-6-27-21(14)30(32)10-17(18)35-2;1-11-3-4-13(8-15(11)22(24,25)26)35(32,33)30-16-7-12(23)9-28-19(16)20(31)18-14-5-6-27-21(14)29-10-17(18)34-2;22-11-1-3-15(19(30)13-5-7-27-20-14(13)6-8-28-20)18(9-11)29-33(31,32)12-2-4-17(23)16(10-12)21(24,25)26;1-11-2-3-13(9-16(11)21(23,24)25)34(32,33)28-17-8-12(22)10-27-18(17)19(30)14-5-7-29(31)20-15(14)4-6-26-20/h3-10,29,32H,1-2H3;3-10,30H,1-2H3,(H,27,29);1-10,29H,(H,27,28);2-10,28,31H,1H3.

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

4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-(7-hydroxy-5-methoxypyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-(7-hydroxypyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 2091.01 g/mol, XLogP of 20.17, 22 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-(7-hydroxy-5-methoxypyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-(7-hydroxypyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 159383036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).