4-(3-fluoro-4-quinolin-6-ylphenyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

C21H21FN2O4S — CID 88851066

IUPAC4-(3-fluoro-4-quinolin-6-ylphenyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCC(CCc1ccc(-c2ccc3ncccc3c2)c(F)c1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C21H21FN2O4S/c1-21(20(25)24-26,29(2,27)28)10-9-14-5-7-17(18(22)12-14)15-6-8-19-16(13-15)4-3-11-23-19/h3-8,11-13,26H,9-10H2,1-2H3,(H,24,25)
InChIKeyOADUMQACEFXHTR-UHFFFAOYSA-N
MW416.47 g/mol
LogP3.28
Rot. Bonds6

About 4-(3-fluoro-4-quinolin-6-ylphenyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

4-(3-fluoro-4-quinolin-6-ylphenyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (PubChem CID 88851066) has the molecular formula C21H21FN2O4S and a molecular weight of 416.47 g/mol. Its IUPAC name is 4-(3-fluoro-4-quinolin-6-ylphenyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.

Molecular Properties

Compound Name4-(3-fluoro-4-quinolin-6-ylphenyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
PubChem CID88851066
Molecular FormulaC21H21FN2O4S
Molecular Weight416.47 g/mol
Exact Mass416.12
IUPAC Name4-(3-fluoro-4-quinolin-6-ylphenyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCC(CCc1ccc(-c2ccc3ncccc3c2)c(F)c1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C21H21FN2O4S/c1-21(20(25)24-26,29(2,27)28)10-9-14-5-7-17(18(22)12-14)15-6-8-19-16(13-15)4-3-11-23-19/h3-8,11-13,26H,9-10H2,1-2H3,(H,24,25)
InChIKeyOADUMQACEFXHTR-UHFFFAOYSA-N
XLogP3.28
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.47
LogP ≤ 53.28
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'}

Analyze 4-(3-fluoro-4-quinolin-6-ylphenyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-quinolin-6-ylphenyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of 4-(3-fluoro-4-quinolin-6-ylphenyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (CID 88851066) is 4-(3-fluoro-4-quinolin-6-ylphenyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for 4-(3-fluoro-4-quinolin-6-ylphenyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for 4-(3-fluoro-4-quinolin-6-ylphenyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is CC(CCc1ccc(-c2ccc3ncccc3c2)c(F)c1)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of 4-(3-fluoro-4-quinolin-6-ylphenyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is OADUMQACEFXHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O4S/c1-21(20(25)24-26,29(2,27)28)10-9-14-5-7-17(18(22)12-14)15-6-8-19-16(13-15)4-3-11-23-19/h3-8,11-13,26H,9-10H2,1-2H3,(H,24,25).
What are the key properties of 4-(3-fluoro-4-quinolin-6-ylphenyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
4-(3-fluoro-4-quinolin-6-ylphenyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 416.47 g/mol, XLogP of 3.28, 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-quinolin-6-ylphenyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 88851066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).