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

C44H32Cl2F6N8O7S2 — CID 123260960

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

N-[5-chloro-2-(7-hydroxy-5-methylpyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-(5-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 123260960) has the molecular formula C44H32Cl2F6N8O7S2 and a molecular weight of 1033.82 g/mol. Its IUPAC name is N-[5-chloro-2-(7-hydroxy-5-methylpyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-(5-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

• Compound Name: N-[5-chloro-2-(7-hydroxy-5-methylpyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-(5-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide
• PubChem CID: 123260960
• Molecular Formula: C44H32Cl2F6N8O7S2
• Molecular Weight: 1033.82 g/mol
• Exact Mass: 1032.11
• IUPAC Name: N-[5-chloro-2-(7-hydroxy-5-methylpyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-(5-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide
• SMILES: Cc1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2c(C)cn(O)c3nccc2-3)cc1C(F)(F)F.Cc1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2c(C)cnc3[nH]ccc23)cc1C(F)(F)F
• InChI: InChI=1S/C22H16ClF3N4O4S.C22H16ClF3N4O3S/c1-11-3-4-14(8-16(11)22(24,25)26)35(33,34)29-17-7-13(23)9-28-19(17)20(31)18-12(2)10-30(32)21-15(18)5-6-27-21;1-11-3-4-14(8-16(11)22(24,25)26)34(32,33)30-17-7-13(23)10-28-19(17)20(31)18-12(2)9-29-21-15(18)5-6-27-21/h3-10,29,32H,1-2H3;3-10,30H,1-2H3,(H,27,29)
• InChIKey: WAADCPDILSJSHR-UHFFFAOYSA-N
• XLogP: 10.22
• TPSA: 218.99 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1033.82
LogP ≤ 5	10.22
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[5-chloro-2-(7-hydroxy-5-methylpyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-(5-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide (CID 123260960) is N-[5-chloro-2-(7-hydroxy-5-methylpyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-(5-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide.

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

The canonical SMILES for N-[5-chloro-2-(7-hydroxy-5-methylpyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-(5-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2c(C)cn(O)c3nccc2-3)cc1C(F)(F)F.Cc1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2c(C)cnc3[nH]ccc23)cc1C(F)(F)F.

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

The InChIKey is WAADCPDILSJSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClF3N4O4S.C22H16ClF3N4O3S/c1-11-3-4-14(8-16(11)22(24,25)26)35(33,34)29-17-7-13(23)9-28-19(17)20(31)18-12(2)10-30(32)21-15(18)5-6-27-21;1-11-3-4-14(8-16(11)22(24,25)26)34(32,33)30-17-7-13(23)10-28-19(17)20(31)18-12(2)9-29-21-15(18)5-6-27-21/h3-10,29,32H,1-2H3;3-10,30H,1-2H3,(H,27,29).

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

N-[5-chloro-2-(7-hydroxy-5-methylpyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-(5-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 1033.82 g/mol, XLogP of 10.22, 10 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-chloro-2-(7-hydroxy-5-methylpyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-(5-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 123260960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).