2-[(4-amino-3-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide

C11H16FN3O3S — CID 82843638

IUPAC2-[(4-amino-3-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide
SMILESCC(NS(=O)(=O)c1ccc(N)c(F)c1)C(=O)N(C)C
InChIInChI=1S/C11H16FN3O3S/c1-7(11(16)15(2)3)14-19(17,18)8-4-5-10(13)9(12)6-8/h4-7,14H,13H2,1-3H3
InChIKeyYWRPYOSYQZTHFM-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.16
Rot. Bonds4

About 2-[(4-amino-3-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide

2-[(4-amino-3-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide (PubChem CID 82843638) has the molecular formula C11H16FN3O3S and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-[(4-amino-3-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[(4-amino-3-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide
PubChem CID82843638
Molecular FormulaC11H16FN3O3S
Molecular Weight289.33 g/mol
Exact Mass289.09
IUPAC Name2-[(4-amino-3-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide
SMILESCC(NS(=O)(=O)c1ccc(N)c(F)c1)C(=O)N(C)C
InChIInChI=1S/C11H16FN3O3S/c1-7(11(16)15(2)3)14-19(17,18)8-4-5-10(13)9(12)6-8/h4-7,14H,13H2,1-3H3
InChIKeyYWRPYOSYQZTHFM-UHFFFAOYSA-N
XLogP0.16
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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'}

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Related Compounds

ethyl 2-[(4-amino-3-fluorophenyl)sulfonylamino]propanoate
CID 82844635
4-amino-3-fluoro-N-(4-hydroxybutan-2-yl)benzenesulfonamide
CID 83177701
3-[(4-amino-3-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 82844098
2-[(3-amino-5-chloro-4-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 43577418
4-amino-3-fluoro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 82845290
2-[(4-amino-3-bromophenyl)sulfonylamino]-N,N-diethylpropanamide
CID 115597824
4-amino-3-fluoro-N-(2-methylpropyl)benzenesulfonamide
CID 82843843
4-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-3-fluorobenzenesulfonamide
CID 107868868
2-[(2-bromo-4-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 47304636
4-amino-3-fluoro-N-(3-hydroxybutyl)benzenesulfonamide
CID 82844340
4-amino-N-(1-cyclopropylpropan-2-yl)-3-fluorobenzenesulfonamide
CID 82844725
4-amino-3-fluoro-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 82845464

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-3-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[(4-amino-3-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide (CID 82843638) is 2-[(4-amino-3-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[(4-amino-3-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[(4-amino-3-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide is CC(NS(=O)(=O)c1ccc(N)c(F)c1)C(=O)N(C)C.
What is the InChIKey of 2-[(4-amino-3-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide?
The InChIKey is YWRPYOSYQZTHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O3S/c1-7(11(16)15(2)3)14-19(17,18)8-4-5-10(13)9(12)6-8/h4-7,14H,13H2,1-3H3.
What are the key properties of 2-[(4-amino-3-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide?
2-[(4-amino-3-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide has a molecular weight of 289.33 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-3-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 82843638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).