2-[(2-amino-5-bromo-4-fluorophenyl)sulfonylamino]-N-propan-2-ylacetamide

C11H15BrFN3O3S — CID 106491434

IUPAC2-[(2-amino-5-bromo-4-fluorophenyl)sulfonylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNS(=O)(=O)c1cc(Br)c(F)cc1N
InChIInChI=1S/C11H15BrFN3O3S/c1-6(2)16-11(17)5-15-20(18,19)10-3-7(12)8(13)4-9(10)14/h3-4,6,15H,5,14H2,1-2H3,(H,16,17)
InChIKeyXSLSXTZQLFMZBB-UHFFFAOYSA-N
MW368.23 g/mol
LogP0.97
Rot. Bonds5

About 2-[(2-amino-5-bromo-4-fluorophenyl)sulfonylamino]-N-propan-2-ylacetamide

2-[(2-amino-5-bromo-4-fluorophenyl)sulfonylamino]-N-propan-2-ylacetamide (PubChem CID 106491434) has the molecular formula C11H15BrFN3O3S and a molecular weight of 368.23 g/mol. Its IUPAC name is 2-[(2-amino-5-bromo-4-fluorophenyl)sulfonylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(2-amino-5-bromo-4-fluorophenyl)sulfonylamino]-N-propan-2-ylacetamide
PubChem CID106491434
Molecular FormulaC11H15BrFN3O3S
Molecular Weight368.23 g/mol
Exact Mass367.00
IUPAC Name2-[(2-amino-5-bromo-4-fluorophenyl)sulfonylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNS(=O)(=O)c1cc(Br)c(F)cc1N
InChIInChI=1S/C11H15BrFN3O3S/c1-6(2)16-11(17)5-15-20(18,19)10-3-7(12)8(13)4-9(10)14/h3-4,6,15H,5,14H2,1-2H3,(H,16,17)
InChIKeyXSLSXTZQLFMZBB-UHFFFAOYSA-N
XLogP0.97
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.23
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-bromo-4-fluoro-N-(4-hydroxy-2-methylbutyl)benzenesulfonamide
CID 106491894
2-(2-amino-5-bromo-4-fluoroanilino)-N-propan-2-ylacetamide
CID 116735525
2-[(5-amino-2-fluorophenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 43567667
2-amino-5-bromo-N-[2-(dimethylamino)propyl]-4-fluorobenzenesulfonamide
CID 106491580
2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 103077298
methyl 2-[(2-amino-5-bromo-4-fluorophenyl)sulfonylamino]propanoate
CID 106491644
2-amino-5-bromo-4-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 106491907
2-[(3-amino-4-fluoro-2,6-dimethylphenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 107325645
ethyl 3-[(2-amino-5-bromo-4-fluorophenyl)sulfonylamino]propanoate
CID 106491697
2-amino-5-bromo-N-(3-ethylpentan-2-yl)-4-fluorobenzenesulfonamide
CID 106491799
2-amino-5-bromo-N-(1,3-dihydroxypropan-2-yl)-4-fluorobenzenesulfonamide
CID 106491866
2-amino-5-bromo-4-fluoro-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 106492061

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-5-bromo-4-fluorophenyl)sulfonylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(2-amino-5-bromo-4-fluorophenyl)sulfonylamino]-N-propan-2-ylacetamide (CID 106491434) is 2-[(2-amino-5-bromo-4-fluorophenyl)sulfonylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(2-amino-5-bromo-4-fluorophenyl)sulfonylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(2-amino-5-bromo-4-fluorophenyl)sulfonylamino]-N-propan-2-ylacetamide is CC(C)NC(=O)CNS(=O)(=O)c1cc(Br)c(F)cc1N.
What is the InChIKey of 2-[(2-amino-5-bromo-4-fluorophenyl)sulfonylamino]-N-propan-2-ylacetamide?
The InChIKey is XSLSXTZQLFMZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFN3O3S/c1-6(2)16-11(17)5-15-20(18,19)10-3-7(12)8(13)4-9(10)14/h3-4,6,15H,5,14H2,1-2H3,(H,16,17).
What are the key properties of 2-[(2-amino-5-bromo-4-fluorophenyl)sulfonylamino]-N-propan-2-ylacetamide?
2-[(2-amino-5-bromo-4-fluorophenyl)sulfonylamino]-N-propan-2-ylacetamide has a molecular weight of 368.23 g/mol, XLogP of 0.97, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-5-bromo-4-fluorophenyl)sulfonylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 106491434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).