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

C26H22Cl2N4O6S — CID 10483520

IUPAC5-[4-[(2,4-dichlorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-3-oxo-2-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide
SMILESO=C(NO)C1c2c([nH]n(-c3ccccc3)c2=O)CCN1S(=O)(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C26H22Cl2N4O6S/c27-17-7-6-16(21(28)14-17)15-38-19-8-10-20(11-9-19)39(36,37)31-13-12-22-23(24(31)25(33)30-35)26(34)32(29-22)18-4-2-1-3-5-18/h1-11,14,24,29,35H,12-13,15H2,(H,30,33)
InChIKeyHVHKRQURQNILBF-UHFFFAOYSA-N
MW589.46 g/mol
LogP3.84
Rot. Bonds7

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

5-[4-[(2,4-dichlorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-3-oxo-2-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide (PubChem CID 10483520) has the molecular formula C26H22Cl2N4O6S and a molecular weight of 589.46 g/mol. Its IUPAC name is 5-[4-[(2,4-dichlorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-3-oxo-2-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name5-[4-[(2,4-dichlorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-3-oxo-2-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide
PubChem CID10483520
Molecular FormulaC26H22Cl2N4O6S
Molecular Weight589.46 g/mol
Exact Mass588.06
IUPAC Name5-[4-[(2,4-dichlorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-3-oxo-2-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide
SMILESO=C(NO)C1c2c([nH]n(-c3ccccc3)c2=O)CCN1S(=O)(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C26H22Cl2N4O6S/c27-17-7-6-16(21(28)14-17)15-38-19-8-10-20(11-9-19)39(36,37)31-13-12-22-23(24(31)25(33)30-35)26(34)32(29-22)18-4-2-1-3-5-18/h1-11,14,24,29,35H,12-13,15H2,(H,30,33)
InChIKeyHVHKRQURQNILBF-UHFFFAOYSA-N
XLogP3.84
TPSA133.73 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500589.46
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(2,4-dichlorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-3-oxo-2-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide?
The IUPAC name of 5-[4-[(2,4-dichlorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-3-oxo-2-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide (CID 10483520) is 5-[4-[(2,4-dichlorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-3-oxo-2-phenyl-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-N-hydroxy-3-oxo-2-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide?
The canonical SMILES for 5-[4-[(2,4-dichlorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-3-oxo-2-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide is O=C(NO)C1c2c([nH]n(-c3ccccc3)c2=O)CCN1S(=O)(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 5-[4-[(2,4-dichlorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-3-oxo-2-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide?
The InChIKey is HVHKRQURQNILBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22Cl2N4O6S/c27-17-7-6-16(21(28)14-17)15-38-19-8-10-20(11-9-19)39(36,37)31-13-12-22-23(24(31)25(33)30-35)26(34)32(29-22)18-4-2-1-3-5-18/h1-11,14,24,29,35H,12-13,15H2,(H,30,33).
What are the key properties of 5-[4-[(2,4-dichlorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-3-oxo-2-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide?
5-[4-[(2,4-dichlorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-3-oxo-2-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide has a molecular weight of 589.46 g/mol, XLogP of 3.84, 7 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-N-hydroxy-3-oxo-2-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 10483520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).