2-benzyl-N-hydroxy-3-oxo-5-(4-phenylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide

C26H24N4O5S — CID 10323848

About 2-benzyl-N-hydroxy-3-oxo-5-(4-phenylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide

2-benzyl-N-hydroxy-3-oxo-5-(4-phenylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide (PubChem CID 10323848) has the molecular formula C26H24N4O5S and a molecular weight of 504.57 g/mol. Its IUPAC name is 2-benzyl-N-hydroxy-3-oxo-5-(4-phenylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 2-benzyl-N-hydroxy-3-oxo-5-(4-phenylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide
• PubChem CID: 10323848
• Molecular Formula: C26H24N4O5S
• Molecular Weight: 504.57 g/mol
• Exact Mass: 504.15
• IUPAC Name: 2-benzyl-N-hydroxy-3-oxo-5-(4-phenylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide
• SMILES: O=C(NO)C1c2c([nH]n(Cc3ccccc3)c2=O)CCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1
• InChI: InChI=1S/C26H24N4O5S/c31-25(28-33)24-23-22(27-29(26(23)32)17-18-7-3-1-4-8-18)15-16-30(24)36(34,35)21-13-11-20(12-14-21)19-9-5-2-6-10-19/h1-14,24,27,33H,15-17H2,(H,28,31)
• InChIKey: JEXZTOLIQYBLSF-UHFFFAOYSA-N
• XLogP: 2.69
• TPSA: 124.50 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.57
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-hydroxy-3-oxo-5-(4-phenylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide?

The IUPAC name of 2-benzyl-N-hydroxy-3-oxo-5-(4-phenylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide (CID 10323848) is 2-benzyl-N-hydroxy-3-oxo-5-(4-phenylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide.

What is the SMILES notation for 2-benzyl-N-hydroxy-3-oxo-5-(4-phenylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide?

The canonical SMILES for 2-benzyl-N-hydroxy-3-oxo-5-(4-phenylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide is O=C(NO)C1c2c([nH]n(Cc3ccccc3)c2=O)CCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1.

What is the InChIKey of 2-benzyl-N-hydroxy-3-oxo-5-(4-phenylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide?

The InChIKey is JEXZTOLIQYBLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O5S/c31-25(28-33)24-23-22(27-29(26(23)32)17-18-7-3-1-4-8-18)15-16-30(24)36(34,35)21-13-11-20(12-14-21)19-9-5-2-6-10-19/h1-14,24,27,33H,15-17H2,(H,28,31).

What are the key properties of 2-benzyl-N-hydroxy-3-oxo-5-(4-phenylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide?

2-benzyl-N-hydroxy-3-oxo-5-(4-phenylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide has a molecular weight of 504.57 g/mol, XLogP of 2.69, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-benzyl-N-hydroxy-3-oxo-5-(4-phenylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 10323848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).