3-[(2-amino-4,6-dibromophenyl)sulfonylamino]-3-methylbutanamide

C11H15Br2N3O3S — CID 106095490

IUPAC3-[(2-amino-4,6-dibromophenyl)sulfonylamino]-3-methylbutanamide
SMILESCC(C)(CC(N)=O)NS(=O)(=O)c1c(N)cc(Br)cc1Br
InChIInChI=1S/C11H15Br2N3O3S/c1-11(2,5-9(15)17)16-20(18,19)10-7(13)3-6(12)4-8(10)14/h3-4,16H,5,14H2,1-2H3,(H2,15,17)
InChIKeyDTFJFMIIYIHTPX-UHFFFAOYSA-N
MW429.13 g/mol
LogP1.73
Rot. Bonds5

About 3-[(2-amino-4,6-dibromophenyl)sulfonylamino]-3-methylbutanamide

3-[(2-amino-4,6-dibromophenyl)sulfonylamino]-3-methylbutanamide (PubChem CID 106095490) has the molecular formula C11H15Br2N3O3S and a molecular weight of 429.13 g/mol. Its IUPAC name is 3-[(2-amino-4,6-dibromophenyl)sulfonylamino]-3-methylbutanamide.

Molecular Properties

Compound Name3-[(2-amino-4,6-dibromophenyl)sulfonylamino]-3-methylbutanamide
PubChem CID106095490
Molecular FormulaC11H15Br2N3O3S
Molecular Weight429.13 g/mol
Exact Mass426.92
IUPAC Name3-[(2-amino-4,6-dibromophenyl)sulfonylamino]-3-methylbutanamide
SMILESCC(C)(CC(N)=O)NS(=O)(=O)c1c(N)cc(Br)cc1Br
InChIInChI=1S/C11H15Br2N3O3S/c1-11(2,5-9(15)17)16-20(18,19)10-7(13)3-6(12)4-8(10)14/h3-4,16H,5,14H2,1-2H3,(H2,15,17)
InChIKeyDTFJFMIIYIHTPX-UHFFFAOYSA-N
XLogP1.73
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.13
LogP ≤ 51.73
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-4,6-dibromo-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 43498629
3-[(5-amino-4-bromo-2-methylphenyl)sulfonylamino]-3-methylbutanamide
CID 106095460
3-[(5-amino-2-bromo-4-fluorophenyl)sulfonylamino]-3-methylbutanamide
CID 106095528
2-[(2-amino-4,6-dibromophenyl)sulfonylamino]-N-methylacetamide
CID 43310321
5-[(2-amino-4,6-dibromophenyl)sulfonylamino]pentanamide
CID 106233643
3-[(3-amino-4-fluoro-2,6-dimethylphenyl)sulfonylamino]-3-methylbutanamide
CID 106095532
2-amino-4,6-dibromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 104758514
2-amino-4,6-dibromo-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 93081298
2-amino-4,6-dibromo-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 93081235
3-[(3-amino-4-fluoro-5-methylphenyl)sulfonylamino]-3-methylbutanamide
CID 106095511
4-amino-2,6-dibromo-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 43256860
3-(benzenesulfonamido)-3-methylbutanamide
CID 104600859

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-4,6-dibromophenyl)sulfonylamino]-3-methylbutanamide?
The IUPAC name of 3-[(2-amino-4,6-dibromophenyl)sulfonylamino]-3-methylbutanamide (CID 106095490) is 3-[(2-amino-4,6-dibromophenyl)sulfonylamino]-3-methylbutanamide.
What is the SMILES notation for 3-[(2-amino-4,6-dibromophenyl)sulfonylamino]-3-methylbutanamide?
The canonical SMILES for 3-[(2-amino-4,6-dibromophenyl)sulfonylamino]-3-methylbutanamide is CC(C)(CC(N)=O)NS(=O)(=O)c1c(N)cc(Br)cc1Br.
What is the InChIKey of 3-[(2-amino-4,6-dibromophenyl)sulfonylamino]-3-methylbutanamide?
The InChIKey is DTFJFMIIYIHTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br2N3O3S/c1-11(2,5-9(15)17)16-20(18,19)10-7(13)3-6(12)4-8(10)14/h3-4,16H,5,14H2,1-2H3,(H2,15,17).
What are the key properties of 3-[(2-amino-4,6-dibromophenyl)sulfonylamino]-3-methylbutanamide?
3-[(2-amino-4,6-dibromophenyl)sulfonylamino]-3-methylbutanamide has a molecular weight of 429.13 g/mol, XLogP of 1.73, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-4,6-dibromophenyl)sulfonylamino]-3-methylbutanamide is sourced from PubChem (CID 106095490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).