4-[4-(2-chloro-3-fluorophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

C17H18ClFN2O5S — CID 90116301

IUPAC4-[4-(2-chloro-3-fluorophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCC(CCn1ccc(-c2cccc(F)c2Cl)cc1=O)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C17H18ClFN2O5S/c1-17(16(23)20-24,27(2,25)26)7-9-21-8-6-11(10-14(21)22)12-4-3-5-13(19)15(12)18/h3-6,8,10,24H,7,9H2,1-2H3,(H,20,23)
InChIKeyLZVXXLHPSVTTLD-UHFFFAOYSA-N
MW416.86 g/mol
LogP2.01
Rot. Bonds6

About 4-[4-(2-chloro-3-fluorophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

4-[4-(2-chloro-3-fluorophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (PubChem CID 90116301) has the molecular formula C17H18ClFN2O5S and a molecular weight of 416.86 g/mol. Its IUPAC name is 4-[4-(2-chloro-3-fluorophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.

Molecular Properties

Compound Name4-[4-(2-chloro-3-fluorophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
PubChem CID90116301
Molecular FormulaC17H18ClFN2O5S
Molecular Weight416.86 g/mol
Exact Mass416.06
IUPAC Name4-[4-(2-chloro-3-fluorophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCC(CCn1ccc(-c2cccc(F)c2Cl)cc1=O)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C17H18ClFN2O5S/c1-17(16(23)20-24,27(2,25)26)7-9-21-8-6-11(10-14(21)22)12-4-3-5-13(19)15(12)18/h3-6,8,10,24H,7,9H2,1-2H3,(H,20,23)
InChIKeyLZVXXLHPSVTTLD-UHFFFAOYSA-N
XLogP2.01
TPSA105.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.86
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

4-[4-(2-fluoro-4-methylphenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 123963957
4-[4-(3-fluorophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 76511440
4-[4-(3,4-difluorophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 90116024
N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(2,3,6-trifluorophenyl)-1-pyridinyl]butanamide
CID 140597348
4-[4-(4-bromo-3-fluorophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 90116031
4-[4-(2-cyanophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 90116202
(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-naphthalen-2-yl-2-oxo-1-pyridinyl)butanamide
CID 57325770
(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(2-oxo-4-pyridin-2-yl-1-pyridinyl)butanamide
CID 57326892
4-[1-[4-(hydroxyamino)-3-methyl-3-methylsulfonyl-4-oxobutyl]-2-oxo-4-pyridinyl]-3-methylbenzamide
CID 90116562
4-[4-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 90115864
4-[4-[4-(dimethylsulfamoyl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 90115848
4-[4-[2-chloro-4-(4-hydroxybutoxy)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 90116035

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-chloro-3-fluorophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of 4-[4-(2-chloro-3-fluorophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (CID 90116301) is 4-[4-(2-chloro-3-fluorophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for 4-[4-(2-chloro-3-fluorophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for 4-[4-(2-chloro-3-fluorophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is CC(CCn1ccc(-c2cccc(F)c2Cl)cc1=O)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of 4-[4-(2-chloro-3-fluorophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is LZVXXLHPSVTTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O5S/c1-17(16(23)20-24,27(2,25)26)7-9-21-8-6-11(10-14(21)22)12-4-3-5-13(19)15(12)18/h3-6,8,10,24H,7,9H2,1-2H3,(H,20,23).
What are the key properties of 4-[4-(2-chloro-3-fluorophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
4-[4-(2-chloro-3-fluorophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 416.86 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-chloro-3-fluorophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 90116301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).