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

C85H58Cl5F12N17O17S4 — CID 159982776

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

4-chloro-N-[5-chloro-2-(1H-imidazo[4,5-b]pyridine-7-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(7-hydroxy-5-methoxypyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(7-hydroxy-5-propan-2-yloxypyrrolo[2,3-b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 159982776) has the molecular formula C85H58Cl5F12N17O17S4 and a molecular weight of 2123.01 g/mol. Its IUPAC name is 4-chloro-N-[5-chloro-2-(1H-imidazo[4,5-b]pyridine-7-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(7-hydroxy-5-methoxypyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(7-hydroxy-5-propan-2-yloxypyrrolo[2,3-b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

• Compound Name: 4-chloro-N-[5-chloro-2-(1H-imidazo[4,5-b]pyridine-7-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(7-hydroxy-5-methoxypyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(7-hydroxy-5-propan-2-yloxypyrrolo[2,3-b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
• PubChem CID: 159982776
• Molecular Formula: C85H58Cl5F12N17O17S4
• Molecular Weight: 2123.01 g/mol
• Exact Mass: 2119.13
• IUPAC Name: 4-chloro-N-[5-chloro-2-(1H-imidazo[4,5-b]pyridine-7-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(7-hydroxy-5-methoxypyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(7-hydroxy-5-propan-2-yloxypyrrolo[2,3-b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
• SMILES: COc1cn(O)c2nccc-2c1C(=O)c1ncccc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.COc1cnc2[nH]ccc2c1C(=O)c1ncccc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.Cc1cnc(C(=O)c2c(OC(C)C)cn(O)c3nccc2-3)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1.O=C(c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ccnc2nc[nH]c12
• InChI: InChI=1S/C24H20ClF3N4O5S.C21H14ClF3N4O5S.C21H14ClF3N4O4S.C19H10Cl2F3N5O3S/c1-12(2)37-19-11-32(34)23-15(6-7-29-23)20(19)22(33)21-18(8-13(3)10-30-21)31-38(35,36)14-4-5-17(25)16(9-14)24(26,27)28;1-34-16-10-29(31)20-12(6-8-27-20)17(16)19(30)18-15(3-2-7-26-18)28-35(32,33)11-4-5-14(22)13(9-11)21(23,24)25;1-33-16-10-28-20-12(6-8-27-20)17(16)19(30)18-15(3-2-7-26-18)29-34(31,32)11-4-5-14(22)13(9-11)21(23,24)25;20-9-5-14(29-33(31,32)10-1-2-13(21)12(6-10)19(22,23)24)16(26-7-9)17(30)11-3-4-25-18-15(11)27-8-28-18/h4-12,31,34H,1-3H3;2-10,28,31H,1H3;2-10,29H,1H3,(H,27,28);1-8,29H,(H,25,27,28)
• InChIKey: LIMKGOPPWMISNX-UHFFFAOYSA-N
• XLogP: 19.13
• TPSA: 478.56 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 28
• Rotatable Bonds: 24
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2123.01
LogP ≤ 5	19.13
H-Bond Donors ≤ 5	8
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 4-chloro-N-[5-chloro-2-(1H-imidazo[4,5-b]pyridine-7-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(7-hydroxy-5-methoxypyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(7-hydroxy-5-propan-2-yloxypyrrolo[2,3-b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?

The IUPAC name of 4-chloro-N-[5-chloro-2-(1H-imidazo[4,5-b]pyridine-7-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(7-hydroxy-5-methoxypyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(7-hydroxy-5-propan-2-yloxypyrrolo[2,3-b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide (CID 159982776) is 4-chloro-N-[5-chloro-2-(1H-imidazo[4,5-b]pyridine-7-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(7-hydroxy-5-methoxypyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(7-hydroxy-5-propan-2-yloxypyrrolo[2,3-b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide.

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

The canonical SMILES for 4-chloro-N-[5-chloro-2-(1H-imidazo[4,5-b]pyridine-7-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(7-hydroxy-5-methoxypyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(7-hydroxy-5-propan-2-yloxypyrrolo[2,3-b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide is COc1cn(O)c2nccc-2c1C(=O)c1ncccc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.COc1cnc2[nH]ccc2c1C(=O)c1ncccc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.Cc1cnc(C(=O)c2c(OC(C)C)cn(O)c3nccc2-3)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1.O=C(c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ccnc2nc[nH]c12.

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

The InChIKey is LIMKGOPPWMISNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClF3N4O5S.C21H14ClF3N4O5S.C21H14ClF3N4O4S.C19H10Cl2F3N5O3S/c1-12(2)37-19-11-32(34)23-15(6-7-29-23)20(19)22(33)21-18(8-13(3)10-30-21)31-38(35,36)14-4-5-17(25)16(9-14)24(26,27)28;1-34-16-10-29(31)20-12(6-8-27-20)17(16)19(30)18-15(3-2-7-26-18)28-35(32,33)11-4-5-14(22)13(9-11)21(23,24)25;1-33-16-10-28-20-12(6-8-27-20)17(16)19(30)18-15(3-2-7-26-18)29-34(31,32)11-4-5-14(22)13(9-11)21(23,24)25;20-9-5-14(29-33(31,32)10-1-2-13(21)12(6-10)19(22,23)24)16(26-7-9)17(30)11-3-4-25-18-15(11)27-8-28-18/h4-12,31,34H,1-3H3;2-10,28,31H,1H3;2-10,29H,1H3,(H,27,28);1-8,29H,(H,25,27,28).

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

4-chloro-N-[5-chloro-2-(1H-imidazo[4,5-b]pyridine-7-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(7-hydroxy-5-methoxypyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(7-hydroxy-5-propan-2-yloxypyrrolo[2,3-b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 2123.01 g/mol, XLogP of 19.13, 24 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-[5-chloro-2-(1H-imidazo[4,5-b]pyridine-7-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(7-hydroxy-5-methoxypyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(7-hydroxy-5-propan-2-yloxypyrrolo[2,3-b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 159982776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).