3-[(5-amino-2-bromo-4-fluorophenyl)sulfonylamino]-2,2-dimethylpropanamide

C11H15BrFN3O3S — CID 106274915

IUPAC3-[(5-amino-2-bromo-4-fluorophenyl)sulfonylamino]-2,2-dimethylpropanamide
SMILESCC(C)(CNS(=O)(=O)c1cc(N)c(F)cc1Br)C(N)=O
InChIInChI=1S/C11H15BrFN3O3S/c1-11(2,10(15)17)5-16-20(18,19)9-4-8(14)7(13)3-6(9)12/h3-4,16H,5,14H2,1-2H3,(H2,15,17)
InChIKeyXDCFTMPPKUTVLE-UHFFFAOYSA-N
MW368.23 g/mol
LogP0.96
Rot. Bonds5

About 3-[(5-amino-2-bromo-4-fluorophenyl)sulfonylamino]-2,2-dimethylpropanamide

3-[(5-amino-2-bromo-4-fluorophenyl)sulfonylamino]-2,2-dimethylpropanamide (PubChem CID 106274915) has the molecular formula C11H15BrFN3O3S and a molecular weight of 368.23 g/mol. Its IUPAC name is 3-[(5-amino-2-bromo-4-fluorophenyl)sulfonylamino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[(5-amino-2-bromo-4-fluorophenyl)sulfonylamino]-2,2-dimethylpropanamide
PubChem CID106274915
Molecular FormulaC11H15BrFN3O3S
Molecular Weight368.23 g/mol
Exact Mass367.00
IUPAC Name3-[(5-amino-2-bromo-4-fluorophenyl)sulfonylamino]-2,2-dimethylpropanamide
SMILESCC(C)(CNS(=O)(=O)c1cc(N)c(F)cc1Br)C(N)=O
InChIInChI=1S/C11H15BrFN3O3S/c1-11(2,10(15)17)5-16-20(18,19)9-4-8(14)7(13)3-6(9)12/h3-4,16H,5,14H2,1-2H3,(H2,15,17)
InChIKeyXDCFTMPPKUTVLE-UHFFFAOYSA-N
XLogP0.96
TPSA115.28 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 ≤ 50.96
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

5-amino-2-bromo-N-(2,2-difluoro-3-hydroxypropyl)-4-fluorobenzenesulfonamide
CID 106165837
3-[(5-amino-2-bromo-4-fluorophenyl)sulfonylamino]-3-methylbutanamide
CID 106095528
3-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide
CID 106274893
3-[(3-amino-5-bromo-2-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide
CID 106274860
3-[(5-amino-4-fluoro-2-methylphenyl)sulfonylamino]-N,2,2-trimethylpropanamide
CID 106275009
1-(5-amino-2-bromo-4-fluorophenyl)sulfonyl-3-tert-butylurea
CID 116646532
5-amino-2-bromo-4-fluoro-N-(4-hydroxybutyl)benzenesulfonamide
CID 106840238
5-amino-2,4-difluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65103582
3-[(5-amino-2-methoxy-4-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide
CID 106274875
3-[(4-amino-3-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide
CID 106274847
5-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-fluoro-2-methylbenzenesulfonamide
CID 106165792
3-[(5-bromo-2-methylthiophen-3-yl)sulfonylamino]-2,2-dimethylpropanamide
CID 106279848

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-2-bromo-4-fluorophenyl)sulfonylamino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[(5-amino-2-bromo-4-fluorophenyl)sulfonylamino]-2,2-dimethylpropanamide (CID 106274915) is 3-[(5-amino-2-bromo-4-fluorophenyl)sulfonylamino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[(5-amino-2-bromo-4-fluorophenyl)sulfonylamino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[(5-amino-2-bromo-4-fluorophenyl)sulfonylamino]-2,2-dimethylpropanamide is CC(C)(CNS(=O)(=O)c1cc(N)c(F)cc1Br)C(N)=O.
What is the InChIKey of 3-[(5-amino-2-bromo-4-fluorophenyl)sulfonylamino]-2,2-dimethylpropanamide?
The InChIKey is XDCFTMPPKUTVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFN3O3S/c1-11(2,10(15)17)5-16-20(18,19)9-4-8(14)7(13)3-6(9)12/h3-4,16H,5,14H2,1-2H3,(H2,15,17).
What are the key properties of 3-[(5-amino-2-bromo-4-fluorophenyl)sulfonylamino]-2,2-dimethylpropanamide?
3-[(5-amino-2-bromo-4-fluorophenyl)sulfonylamino]-2,2-dimethylpropanamide has a molecular weight of 368.23 g/mol, XLogP of 0.96, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-2-bromo-4-fluorophenyl)sulfonylamino]-2,2-dimethylpropanamide is sourced from PubChem (CID 106274915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).