5-[4-[(2,4-dichlorophenyl)methoxy]phenyl]sulfonyl-2-(2-ethylphenyl)-N-hydroxy-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide

C28H26Cl2N4O6S — CID 139996681

About 5-[4-[(2,4-dichlorophenyl)methoxy]phenyl]sulfonyl-2-(2-ethylphenyl)-N-hydroxy-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide

5-[4-[(2,4-dichlorophenyl)methoxy]phenyl]sulfonyl-2-(2-ethylphenyl)-N-hydroxy-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide (PubChem CID 139996681) has the molecular formula C28H26Cl2N4O6S and a molecular weight of 617.51 g/mol. Its IUPAC name is 5-[4-[(2,4-dichlorophenyl)methoxy]phenyl]sulfonyl-2-(2-ethylphenyl)-N-hydroxy-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 5-[4-[(2,4-dichlorophenyl)methoxy]phenyl]sulfonyl-2-(2-ethylphenyl)-N-hydroxy-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide
• PubChem CID: 139996681
• Molecular Formula: C28H26Cl2N4O6S
• Molecular Weight: 617.51 g/mol
• Exact Mass: 616.10
• IUPAC Name: 5-[4-[(2,4-dichlorophenyl)methoxy]phenyl]sulfonyl-2-(2-ethylphenyl)-N-hydroxy-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide
• SMILES: CCc1ccccc1-n1[nH]c2c(c1=O)C(C(=O)NO)N(S(=O)(=O)c1ccc(OCc3ccc(Cl)cc3Cl)cc1)CC2
• InChI: InChI=1S/C28H26Cl2N4O6S/c1-2-17-5-3-4-6-24(17)34-28(36)25-23(31-34)13-14-33(26(25)27(35)32-37)41(38,39)21-11-9-20(10-12-21)40-16-18-7-8-19(29)15-22(18)30/h3-12,15,26,31,37H,2,13-14,16H2,1H3,(H,32,35)
• InChIKey: GDIKKOUTQZPHHL-UHFFFAOYSA-N
• XLogP: 4.41
• TPSA: 133.73 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	617.51
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

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 5-[4-[(2,4-dichlorophenyl)methoxy]phenyl]sulfonyl-2-(2-ethylphenyl)-N-hydroxy-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide?

The IUPAC name of 5-[4-[(2,4-dichlorophenyl)methoxy]phenyl]sulfonyl-2-(2-ethylphenyl)-N-hydroxy-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide (CID 139996681) is 5-[4-[(2,4-dichlorophenyl)methoxy]phenyl]sulfonyl-2-(2-ethylphenyl)-N-hydroxy-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide.

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

The canonical SMILES for 5-[4-[(2,4-dichlorophenyl)methoxy]phenyl]sulfonyl-2-(2-ethylphenyl)-N-hydroxy-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide is CCc1ccccc1-n1[nH]c2c(c1=O)C(C(=O)NO)N(S(=O)(=O)c1ccc(OCc3ccc(Cl)cc3Cl)cc1)CC2.

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

The InChIKey is GDIKKOUTQZPHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26Cl2N4O6S/c1-2-17-5-3-4-6-24(17)34-28(36)25-23(31-34)13-14-33(26(25)27(35)32-37)41(38,39)21-11-9-20(10-12-21)40-16-18-7-8-19(29)15-22(18)30/h3-12,15,26,31,37H,2,13-14,16H2,1H3,(H,32,35).

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

5-[4-[(2,4-dichlorophenyl)methoxy]phenyl]sulfonyl-2-(2-ethylphenyl)-N-hydroxy-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide has a molecular weight of 617.51 g/mol, XLogP of 4.41, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[(2,4-dichlorophenyl)methoxy]phenyl]sulfonyl-2-(2-ethylphenyl)-N-hydroxy-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 139996681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).