4-(3-fluoro-4-pyridin-3-ylphenyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

C17H19FN2O4S — CID 90684318

IUPAC4-(3-fluoro-4-pyridin-3-ylphenyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCC(CCc1ccc(-c2cccnc2)c(F)c1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C17H19FN2O4S/c1-17(16(21)20-22,25(2,23)24)8-7-12-5-6-14(15(18)10-12)13-4-3-9-19-11-13/h3-6,9-11,22H,7-8H2,1-2H3,(H,20,21)
InChIKeyZBOQFJKHKIPYAK-UHFFFAOYSA-N
MW366.41 g/mol
LogP2.13
Rot. Bonds6

About 4-(3-fluoro-4-pyridin-3-ylphenyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

4-(3-fluoro-4-pyridin-3-ylphenyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (PubChem CID 90684318) has the molecular formula C17H19FN2O4S and a molecular weight of 366.41 g/mol. Its IUPAC name is 4-(3-fluoro-4-pyridin-3-ylphenyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.

Molecular Properties

Compound Name4-(3-fluoro-4-pyridin-3-ylphenyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
PubChem CID90684318
Molecular FormulaC17H19FN2O4S
Molecular Weight366.41 g/mol
Exact Mass366.10
IUPAC Name4-(3-fluoro-4-pyridin-3-ylphenyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCC(CCc1ccc(-c2cccnc2)c(F)c1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C17H19FN2O4S/c1-17(16(21)20-22,25(2,23)24)8-7-12-5-6-14(15(18)10-12)13-4-3-9-19-11-13/h3-6,9-11,22H,7-8H2,1-2H3,(H,20,21)
InChIKeyZBOQFJKHKIPYAK-UHFFFAOYSA-N
XLogP2.13
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(3-fluoro-4-pyridin-3-ylphenyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of 4-(3-fluoro-4-pyridin-3-ylphenyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (CID 90684318) is 4-(3-fluoro-4-pyridin-3-ylphenyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for 4-(3-fluoro-4-pyridin-3-ylphenyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for 4-(3-fluoro-4-pyridin-3-ylphenyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is CC(CCc1ccc(-c2cccnc2)c(F)c1)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of 4-(3-fluoro-4-pyridin-3-ylphenyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is ZBOQFJKHKIPYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O4S/c1-17(16(21)20-22,25(2,23)24)8-7-12-5-6-14(15(18)10-12)13-4-3-9-19-11-13/h3-6,9-11,22H,7-8H2,1-2H3,(H,20,21).
What are the key properties of 4-(3-fluoro-4-pyridin-3-ylphenyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
4-(3-fluoro-4-pyridin-3-ylphenyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 366.41 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-pyridin-3-ylphenyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 90684318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).