3-[(4-amino-3-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide

C11H16FN3O3S — CID 82844098

IUPAC3-[(4-amino-3-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNS(=O)(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C11H16FN3O3S/c1-15(2)11(16)5-6-14-19(17,18)8-3-4-10(13)9(12)7-8/h3-4,7,14H,5-6,13H2,1-2H3
InChIKeyRENPBIOTMCNBCL-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.16
Rot. Bonds5

About 3-[(4-amino-3-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide

3-[(4-amino-3-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide (PubChem CID 82844098) has the molecular formula C11H16FN3O3S and a molecular weight of 289.33 g/mol. Its IUPAC name is 3-[(4-amino-3-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[(4-amino-3-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide
PubChem CID82844098
Molecular FormulaC11H16FN3O3S
Molecular Weight289.33 g/mol
Exact Mass289.09
IUPAC Name3-[(4-amino-3-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNS(=O)(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C11H16FN3O3S/c1-15(2)11(16)5-6-14-19(17,18)8-3-4-10(13)9(12)7-8/h3-4,7,14H,5-6,13H2,1-2H3
InChIKeyRENPBIOTMCNBCL-UHFFFAOYSA-N
XLogP0.16
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-[(4-amino-3-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide with MolForge

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

Launch Full Analysis

Related Compounds

4-amino-3-fluoro-N-(3-hydroxybutyl)benzenesulfonamide
CID 82844340
3-[(2-amino-5-chlorophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 61127654
3-[(3-bromo-4-chlorophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 106545570
3-[(3-amino-5-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 61126072
methyl 2-[(4-amino-3-fluorophenyl)sulfonylamino]acetate
CID 82844762
4-amino-3-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide
CID 82844183
4-amino-N-[2-(ethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide
CID 106333528
4-amino-3-fluoro-N-(2-methylpropyl)benzenesulfonamide
CID 82843843
4-amino-3-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide
CID 82845702
2-[(4-amino-3-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 82843638
4-amino-3-fluoro-N-(2-phenylethyl)benzenesulfonamide
CID 82844764
4-amino-N-(2-ethyl-2-hydroxybutyl)-3-fluorobenzenesulfonamide
CID 82843587

Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-3-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[(4-amino-3-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide (CID 82844098) is 3-[(4-amino-3-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[(4-amino-3-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[(4-amino-3-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide is CN(C)C(=O)CCNS(=O)(=O)c1ccc(N)c(F)c1.
What is the InChIKey of 3-[(4-amino-3-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide?
The InChIKey is RENPBIOTMCNBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O3S/c1-15(2)11(16)5-6-14-19(17,18)8-3-4-10(13)9(12)7-8/h3-4,7,14H,5-6,13H2,1-2H3.
What are the key properties of 3-[(4-amino-3-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide?
3-[(4-amino-3-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide has a molecular weight of 289.33 g/mol, XLogP of 0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-3-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 82844098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).