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

C27H24Cl2N4O7S — CID 10031802

IUPAC2-(2,5-dichlorophenyl)-N-hydroxy-5-[4-(3-methoxy-5-methylphenoxy)phenyl]sulfonyl-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide
SMILESCOc1cc(C)cc(Oc2ccc(S(=O)(=O)N3CCc4[nH]n(-c5cc(Cl)ccc5Cl)c(=O)c4C3C(=O)NO)cc2)c1
InChIInChI=1S/C27H24Cl2N4O7S/c1-15-11-18(39-2)14-19(12-15)40-17-4-6-20(7-5-17)41(37,38)32-10-9-22-24(25(32)26(34)31-36)27(35)33(30-22)23-13-16(28)3-8-21(23)29/h3-8,11-14,25,30,36H,9-10H2,1-2H3,(H,31,34)
InChIKeyROEBSAPFHRJBBH-UHFFFAOYSA-N
MW619.48 g/mol
LogP4.38
Rot. Bonds7

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

2-(2,5-dichlorophenyl)-N-hydroxy-5-[4-(3-methoxy-5-methylphenoxy)phenyl]sulfonyl-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide (PubChem CID 10031802) has the molecular formula C27H24Cl2N4O7S and a molecular weight of 619.48 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-N-hydroxy-5-[4-(3-methoxy-5-methylphenoxy)phenyl]sulfonyl-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-N-hydroxy-5-[4-(3-methoxy-5-methylphenoxy)phenyl]sulfonyl-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide
PubChem CID10031802
Molecular FormulaC27H24Cl2N4O7S
Molecular Weight619.48 g/mol
Exact Mass618.07
IUPAC Name2-(2,5-dichlorophenyl)-N-hydroxy-5-[4-(3-methoxy-5-methylphenoxy)phenyl]sulfonyl-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide
SMILESCOc1cc(C)cc(Oc2ccc(S(=O)(=O)N3CCc4[nH]n(-c5cc(Cl)ccc5Cl)c(=O)c4C3C(=O)NO)cc2)c1
InChIInChI=1S/C27H24Cl2N4O7S/c1-15-11-18(39-2)14-19(12-15)40-17-4-6-20(7-5-17)41(37,38)32-10-9-22-24(25(32)26(34)31-36)27(35)33(30-22)23-13-16(28)3-8-21(23)29/h3-8,11-14,25,30,36H,9-10H2,1-2H3,(H,31,34)
InChIKeyROEBSAPFHRJBBH-UHFFFAOYSA-N
XLogP4.38
TPSA142.96 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500619.48
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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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Related Compounds

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
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
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
2-benzyl-N-hydroxy-5-[4-[(4-methylphenyl)methoxy]phenyl]sulfonyl-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide
CID 10370271
2-benzyl-N-hydroxy-5-[4-[(3-methylphenyl)methoxy]phenyl]sulfonyl-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide
CID 10482614
2-benzyl-N-hydroxy-3-oxo-5-(3-phenoxyphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide
CID 10006894
2-cyclopentyl-5-[4-[(2,4-difluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide
CID 139996629
8-fluoro-2-[4-(4-fluorophenoxy)phenyl]sulfonyl-5-methyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 58955086
(2R)-1-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxypiperazine-2-carboxamide
CID 18659875
(3R)-N-hydroxy-4-[4-(4-methoxyphenoxy)phenyl]sulfonylmorpholine-3-carboxamide
CID 18345614
4-butyl-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-3-oxopiperazine-2-carboxamide
CID 90726149
(2S)-N-(5-chloro-2-methylphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 8927392

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-N-hydroxy-5-[4-(3-methoxy-5-methylphenoxy)phenyl]sulfonyl-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide?
The IUPAC name of 2-(2,5-dichlorophenyl)-N-hydroxy-5-[4-(3-methoxy-5-methylphenoxy)phenyl]sulfonyl-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide (CID 10031802) is 2-(2,5-dichlorophenyl)-N-hydroxy-5-[4-(3-methoxy-5-methylphenoxy)phenyl]sulfonyl-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-N-hydroxy-5-[4-(3-methoxy-5-methylphenoxy)phenyl]sulfonyl-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide?
The canonical SMILES for 2-(2,5-dichlorophenyl)-N-hydroxy-5-[4-(3-methoxy-5-methylphenoxy)phenyl]sulfonyl-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide is COc1cc(C)cc(Oc2ccc(S(=O)(=O)N3CCc4[nH]n(-c5cc(Cl)ccc5Cl)c(=O)c4C3C(=O)NO)cc2)c1.
What is the InChIKey of 2-(2,5-dichlorophenyl)-N-hydroxy-5-[4-(3-methoxy-5-methylphenoxy)phenyl]sulfonyl-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide?
The InChIKey is ROEBSAPFHRJBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24Cl2N4O7S/c1-15-11-18(39-2)14-19(12-15)40-17-4-6-20(7-5-17)41(37,38)32-10-9-22-24(25(32)26(34)31-36)27(35)33(30-22)23-13-16(28)3-8-21(23)29/h3-8,11-14,25,30,36H,9-10H2,1-2H3,(H,31,34).
What are the key properties of 2-(2,5-dichlorophenyl)-N-hydroxy-5-[4-(3-methoxy-5-methylphenoxy)phenyl]sulfonyl-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide?
2-(2,5-dichlorophenyl)-N-hydroxy-5-[4-(3-methoxy-5-methylphenoxy)phenyl]sulfonyl-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide has a molecular weight of 619.48 g/mol, XLogP of 4.38, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-N-hydroxy-5-[4-(3-methoxy-5-methylphenoxy)phenyl]sulfonyl-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 10031802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).