4-[5-fluoro-4-(3-fluorophenyl)-2-oxo-1-pyridinyl]-N,N-dihydroxy-2-methyl-2-methylsulfonylbutanamide

C17H18F2N2O6S — CID 88923252

IUPAC4-[5-fluoro-4-(3-fluorophenyl)-2-oxo-1-pyridinyl]-N,N-dihydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCC(CCn1cc(F)c(-c2cccc(F)c2)cc1=O)(C(=O)N(O)O)S(C)(=O)=O
InChIInChI=1S/C17H18F2N2O6S/c1-17(28(2,26)27,16(23)21(24)25)6-7-20-10-14(19)13(9-15(20)22)11-4-3-5-12(18)8-11/h3-5,8-10,24-25H,6-7H2,1-2H3
InChIKeyNYNNSZNNDXXRHK-UHFFFAOYSA-N
MW416.40 g/mol
LogP1.59
Rot. Bonds6

About 4-[5-fluoro-4-(3-fluorophenyl)-2-oxo-1-pyridinyl]-N,N-dihydroxy-2-methyl-2-methylsulfonylbutanamide

4-[5-fluoro-4-(3-fluorophenyl)-2-oxo-1-pyridinyl]-N,N-dihydroxy-2-methyl-2-methylsulfonylbutanamide (PubChem CID 88923252) has the molecular formula C17H18F2N2O6S and a molecular weight of 416.40 g/mol. Its IUPAC name is 4-[5-fluoro-4-(3-fluorophenyl)-2-oxo-1-pyridinyl]-N,N-dihydroxy-2-methyl-2-methylsulfonylbutanamide.

Molecular Properties

Compound Name4-[5-fluoro-4-(3-fluorophenyl)-2-oxo-1-pyridinyl]-N,N-dihydroxy-2-methyl-2-methylsulfonylbutanamide
PubChem CID88923252
Molecular FormulaC17H18F2N2O6S
Molecular Weight416.40 g/mol
Exact Mass416.09
IUPAC Name4-[5-fluoro-4-(3-fluorophenyl)-2-oxo-1-pyridinyl]-N,N-dihydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCC(CCn1cc(F)c(-c2cccc(F)c2)cc1=O)(C(=O)N(O)O)S(C)(=O)=O
InChIInChI=1S/C17H18F2N2O6S/c1-17(28(2,26)27,16(23)21(24)25)6-7-20-10-14(19)13(9-15(20)22)11-4-3-5-12(18)8-11/h3-5,8-10,24-25H,6-7H2,1-2H3
InChIKeyNYNNSZNNDXXRHK-UHFFFAOYSA-N
XLogP1.59
TPSA116.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.40
LogP ≤ 51.59
H-Bond Donors ≤ 52
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 4-[5-fluoro-4-(3-fluorophenyl)-2-oxo-1-pyridinyl]-N,N-dihydroxy-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of 4-[5-fluoro-4-(3-fluorophenyl)-2-oxo-1-pyridinyl]-N,N-dihydroxy-2-methyl-2-methylsulfonylbutanamide (CID 88923252) is 4-[5-fluoro-4-(3-fluorophenyl)-2-oxo-1-pyridinyl]-N,N-dihydroxy-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for 4-[5-fluoro-4-(3-fluorophenyl)-2-oxo-1-pyridinyl]-N,N-dihydroxy-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for 4-[5-fluoro-4-(3-fluorophenyl)-2-oxo-1-pyridinyl]-N,N-dihydroxy-2-methyl-2-methylsulfonylbutanamide is CC(CCn1cc(F)c(-c2cccc(F)c2)cc1=O)(C(=O)N(O)O)S(C)(=O)=O.
What is the InChIKey of 4-[5-fluoro-4-(3-fluorophenyl)-2-oxo-1-pyridinyl]-N,N-dihydroxy-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is NYNNSZNNDXXRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O6S/c1-17(28(2,26)27,16(23)21(24)25)6-7-20-10-14(19)13(9-15(20)22)11-4-3-5-12(18)8-11/h3-5,8-10,24-25H,6-7H2,1-2H3.
What are the key properties of 4-[5-fluoro-4-(3-fluorophenyl)-2-oxo-1-pyridinyl]-N,N-dihydroxy-2-methyl-2-methylsulfonylbutanamide?
4-[5-fluoro-4-(3-fluorophenyl)-2-oxo-1-pyridinyl]-N,N-dihydroxy-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 416.40 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-fluoro-4-(3-fluorophenyl)-2-oxo-1-pyridinyl]-N,N-dihydroxy-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 88923252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).