4-chloro-N-[5-chloro-2-(7H-purine-6-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-propan-2-ylbenzenesulfonamide;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

C83H60Cl6F6N18O14S4 — CID 157103636

About 4-chloro-N-[5-chloro-2-(7H-purine-6-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-propan-2-ylbenzenesulfonamide;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

4-chloro-N-[5-chloro-2-(7H-purine-6-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-propan-2-ylbenzenesulfonamide;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 157103636) has the molecular formula C83H60Cl6F6N18O14S4 and a molecular weight of 1988.48 g/mol. Its IUPAC name is 4-chloro-N-[5-chloro-2-(7H-purine-6-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-propan-2-ylbenzenesulfonamide;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: 4-chloro-N-[5-chloro-2-(7H-purine-6-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-propan-2-ylbenzenesulfonamide;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: 157103636
• Molecular Formula: C83H60Cl6F6N18O14S4
• Molecular Weight: 1988.48 g/mol
• Exact Mass: 1984.15
• IUPAC Name: 4-chloro-N-[5-chloro-2-(7H-purine-6-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-propan-2-ylbenzenesulfonamide;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.Cc1cnc(C(=O)c2ccnc3[nH]ccc23)c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1.O=C(c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ncnc2nc[nH]c12
• InChI: InChI=1S/C23H19F3N4O5S.C22H18Cl2N4O3S.C20H14Cl2N4O3S.C18H9Cl2F3N6O3S/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;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;19-8-3-12(29-33(31,32)9-1-2-11(20)10(4-9)18(21,22)23)13(24-5-8)16(30)14-15-17(27-6-25-14)28-7-26-15/h4-11,29,32H,1-3H3;3-12,28H,1-2H3,(H,25,26);2-10,26H,1H3,(H,23,24);1-7,29H,(H,25,26,27,28)
• InChIKey: YFZLISRICANEDD-UHFFFAOYSA-N
• XLogP: 18.43
• TPSA: 463.62 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 25
• Rotatable Bonds: 22
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1988.48
LogP ≤ 5	18.43
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	25

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-(7H-purine-6-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-propan-2-ylbenzenesulfonamide;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 4-chloro-N-[5-chloro-2-(7H-purine-6-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-propan-2-ylbenzenesulfonamide;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 157103636) is 4-chloro-N-[5-chloro-2-(7H-purine-6-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-propan-2-ylbenzenesulfonamide;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 4-chloro-N-[5-chloro-2-(7H-purine-6-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-propan-2-ylbenzenesulfonamide;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 4-chloro-N-[5-chloro-2-(7H-purine-6-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-propan-2-ylbenzenesulfonamide;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.Cc1cnc(C(=O)c2ccnc3[nH]ccc23)c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1.O=C(c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ncnc2nc[nH]c12.

What is the InChIKey of 4-chloro-N-[5-chloro-2-(7H-purine-6-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-propan-2-ylbenzenesulfonamide;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 YFZLISRICANEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O5S.C22H18Cl2N4O3S.C20H14Cl2N4O3S.C18H9Cl2F3N6O3S/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;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;19-8-3-12(29-33(31,32)9-1-2-11(20)10(4-9)18(21,22)23)13(24-5-8)16(30)14-15-17(27-6-25-14)28-7-26-15/h4-11,29,32H,1-3H3;3-12,28H,1-2H3,(H,25,26);2-10,26H,1H3,(H,23,24);1-7,29H,(H,25,26,27,28).

What are the key properties of 4-chloro-N-[5-chloro-2-(7H-purine-6-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-propan-2-ylbenzenesulfonamide;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?

4-chloro-N-[5-chloro-2-(7H-purine-6-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-propan-2-ylbenzenesulfonamide;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 1988.48 g/mol, XLogP of 18.43, 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-(7H-purine-6-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-propan-2-ylbenzenesulfonamide;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 157103636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).