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

C28H27ClN4O6S — CID 139996632

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

2-(3-chlorophenyl)-5-[4-[(2,5-dimethylphenyl)methoxy]phenyl]sulfonyl-N-hydroxy-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide (PubChem CID 139996632) has the molecular formula C28H27ClN4O6S and a molecular weight of 583.07 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-[4-[(2,5-dimethylphenyl)methoxy]phenyl]sulfonyl-N-hydroxy-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 2-(3-chlorophenyl)-5-[4-[(2,5-dimethylphenyl)methoxy]phenyl]sulfonyl-N-hydroxy-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide
• PubChem CID: 139996632
• Molecular Formula: C28H27ClN4O6S
• Molecular Weight: 583.07 g/mol
• Exact Mass: 582.13
• IUPAC Name: 2-(3-chlorophenyl)-5-[4-[(2,5-dimethylphenyl)methoxy]phenyl]sulfonyl-N-hydroxy-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide
• SMILES: Cc1ccc(C)c(COc2ccc(S(=O)(=O)N3CCc4[nH]n(-c5cccc(Cl)c5)c(=O)c4C3C(=O)NO)cc2)c1
• InChI: InChI=1S/C28H27ClN4O6S/c1-17-6-7-18(2)19(14-17)16-39-22-8-10-23(11-9-22)40(37,38)32-13-12-24-25(26(32)27(34)31-36)28(35)33(30-24)21-5-3-4-20(29)15-21/h3-11,14-15,26,30,36H,12-13,16H2,1-2H3,(H,31,34)
• InChIKey: NJVAKNSXDCLRRP-UHFFFAOYSA-N
• XLogP: 3.81
• TPSA: 133.73 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	583.07
LogP ≤ 5	3.81
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 2-(3-chlorophenyl)-5-[4-[(2,5-dimethylphenyl)methoxy]phenyl]sulfonyl-N-hydroxy-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide?

The IUPAC name of 2-(3-chlorophenyl)-5-[4-[(2,5-dimethylphenyl)methoxy]phenyl]sulfonyl-N-hydroxy-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide (CID 139996632) is 2-(3-chlorophenyl)-5-[4-[(2,5-dimethylphenyl)methoxy]phenyl]sulfonyl-N-hydroxy-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide.

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

The canonical SMILES for 2-(3-chlorophenyl)-5-[4-[(2,5-dimethylphenyl)methoxy]phenyl]sulfonyl-N-hydroxy-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide is Cc1ccc(C)c(COc2ccc(S(=O)(=O)N3CCc4[nH]n(-c5cccc(Cl)c5)c(=O)c4C3C(=O)NO)cc2)c1.

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

The InChIKey is NJVAKNSXDCLRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27ClN4O6S/c1-17-6-7-18(2)19(14-17)16-39-22-8-10-23(11-9-22)40(37,38)32-13-12-24-25(26(32)27(34)31-36)28(35)33(30-24)21-5-3-4-20(29)15-21/h3-11,14-15,26,30,36H,12-13,16H2,1-2H3,(H,31,34).

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

2-(3-chlorophenyl)-5-[4-[(2,5-dimethylphenyl)methoxy]phenyl]sulfonyl-N-hydroxy-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide has a molecular weight of 583.07 g/mol, XLogP of 3.81, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-chlorophenyl)-5-[4-[(2,5-dimethylphenyl)methoxy]phenyl]sulfonyl-N-hydroxy-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 139996632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).