4-amino-2,6-dibromo-N-(2-methylbutan-2-yl)benzenesulfonamide

C11H16Br2N2O2S — CID 43256860

IUPAC4-amino-2,6-dibromo-N-(2-methylbutan-2-yl)benzenesulfonamide
SMILESCCC(C)(C)NS(=O)(=O)c1c(Br)cc(N)cc1Br
InChIInChI=1S/C11H16Br2N2O2S/c1-4-11(2,3)15-18(16,17)10-8(12)5-7(14)6-9(10)13/h5-6,15H,4,14H2,1-3H3
InChIKeyPAKBLBUGKDXRQJ-UHFFFAOYSA-N
MW400.14 g/mol
LogP3.26
Rot. Bonds4

About 4-amino-2,6-dibromo-N-(2-methylbutan-2-yl)benzenesulfonamide

4-amino-2,6-dibromo-N-(2-methylbutan-2-yl)benzenesulfonamide (PubChem CID 43256860) has the molecular formula C11H16Br2N2O2S and a molecular weight of 400.14 g/mol. Its IUPAC name is 4-amino-2,6-dibromo-N-(2-methylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dibromo-N-(2-methylbutan-2-yl)benzenesulfonamide
PubChem CID43256860
Molecular FormulaC11H16Br2N2O2S
Molecular Weight400.14 g/mol
Exact Mass397.93
IUPAC Name4-amino-2,6-dibromo-N-(2-methylbutan-2-yl)benzenesulfonamide
SMILESCCC(C)(C)NS(=O)(=O)c1c(Br)cc(N)cc1Br
InChIInChI=1S/C11H16Br2N2O2S/c1-4-11(2,3)15-18(16,17)10-8(12)5-7(14)6-9(10)13/h5-6,15H,4,14H2,1-3H3
InChIKeyPAKBLBUGKDXRQJ-UHFFFAOYSA-N
XLogP3.26
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.14
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-amino-2,6-dibromo-N-(2-methylbutan-2-yl)benzenesulfonamide 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-2,6-dibromo-N-[3-(hydroxymethyl)pentan-3-yl]benzenesulfonamide
CID 62523961
2-amino-5-bromo-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 54888928
4-amino-2,6-dibromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 104758524
4-amino-2,6-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 54889018
3-amino-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 16790437
2-amino-4,6-dibromo-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 43498629
4-amino-2,6-dibromo-N-but-2-ynylbenzenesulfonamide
CID 113464460
4-amino-2-bromo-N-(3-ethylpentan-3-yl)benzenesulfonamide
CID 65039299
4-amino-2,6-dibromo-N-(2-methylbutyl)benzenesulfonamide
CID 62700585
4-bromo-3-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 7938230
2-amino-6-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 43452325
4-amino-2,6-dibromo-N-pentan-2-ylbenzenesulfonamide
CID 43258159

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dibromo-N-(2-methylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 4-amino-2,6-dibromo-N-(2-methylbutan-2-yl)benzenesulfonamide (CID 43256860) is 4-amino-2,6-dibromo-N-(2-methylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dibromo-N-(2-methylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dibromo-N-(2-methylbutan-2-yl)benzenesulfonamide is CCC(C)(C)NS(=O)(=O)c1c(Br)cc(N)cc1Br.
What is the InChIKey of 4-amino-2,6-dibromo-N-(2-methylbutan-2-yl)benzenesulfonamide?
The InChIKey is PAKBLBUGKDXRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Br2N2O2S/c1-4-11(2,3)15-18(16,17)10-8(12)5-7(14)6-9(10)13/h5-6,15H,4,14H2,1-3H3.
What are the key properties of 4-amino-2,6-dibromo-N-(2-methylbutan-2-yl)benzenesulfonamide?
4-amino-2,6-dibromo-N-(2-methylbutan-2-yl)benzenesulfonamide has a molecular weight of 400.14 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dibromo-N-(2-methylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 43256860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).