4-amino-2,6-dibromo-N-(5-methylhexan-2-yl)benzenesulfonamide

C13H20Br2N2O2S — CID 43576430

IUPAC4-amino-2,6-dibromo-N-(5-methylhexan-2-yl)benzenesulfonamide
SMILESCC(C)CCC(C)NS(=O)(=O)c1c(Br)cc(N)cc1Br
InChIInChI=1S/C13H20Br2N2O2S/c1-8(2)4-5-9(3)17-20(18,19)13-11(14)6-10(16)7-12(13)15/h6-9,17H,4-5,16H2,1-3H3
InChIKeyDXHIJUPWKJJINH-UHFFFAOYSA-N
MW428.19 g/mol
LogP3.90
Rot. Bonds6

About 4-amino-2,6-dibromo-N-(5-methylhexan-2-yl)benzenesulfonamide

4-amino-2,6-dibromo-N-(5-methylhexan-2-yl)benzenesulfonamide (PubChem CID 43576430) has the molecular formula C13H20Br2N2O2S and a molecular weight of 428.19 g/mol. Its IUPAC name is 4-amino-2,6-dibromo-N-(5-methylhexan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dibromo-N-(5-methylhexan-2-yl)benzenesulfonamide
PubChem CID43576430
Molecular FormulaC13H20Br2N2O2S
Molecular Weight428.19 g/mol
Exact Mass425.96
IUPAC Name4-amino-2,6-dibromo-N-(5-methylhexan-2-yl)benzenesulfonamide
SMILESCC(C)CCC(C)NS(=O)(=O)c1c(Br)cc(N)cc1Br
InChIInChI=1S/C13H20Br2N2O2S/c1-8(2)4-5-9(3)17-20(18,19)13-11(14)6-10(16)7-12(13)15/h6-9,17H,4-5,16H2,1-3H3
InChIKeyDXHIJUPWKJJINH-UHFFFAOYSA-N
XLogP3.90
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.19
LogP ≤ 53.90
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-(5-methylhexan-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-pentan-2-ylbenzenesulfonamide
CID 43258159
4-amino-2,6-dibromo-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 61463460
4-amino-2,6-dibromo-N-[1-(dimethylamino)-3-methylbutan-2-yl]benzenesulfonamide
CID 61476435
methyl 2-[(4-amino-2,6-dibromophenyl)sulfonylamino]propanoate
CID 61496754
4-amino-2,6-dibromo-N-octan-4-ylbenzenesulfonamide
CID 106022120
4-amino-2,6-dibromo-N-(dicyclopropylmethyl)benzenesulfonamide
CID 61479282
4-amino-2,6-dibromo-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 93081162
5-amino-2-methyl-N-(5-methylhexan-2-yl)benzenesulfonamide
CID 43576401
2-bromo-4-methyl-N-(5-methylhexan-2-yl)benzenesulfonamide
CID 60732124
4-bromo-2,6-dichloro-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 60639898
2-amino-4,6-dibromo-N-hexan-2-ylbenzenesulfonamide
CID 62198326
4-amino-2,6-dibromo-N-(2-methylbutyl)benzenesulfonamide
CID 62700585

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dibromo-N-(5-methylhexan-2-yl)benzenesulfonamide?
The IUPAC name of 4-amino-2,6-dibromo-N-(5-methylhexan-2-yl)benzenesulfonamide (CID 43576430) is 4-amino-2,6-dibromo-N-(5-methylhexan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dibromo-N-(5-methylhexan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dibromo-N-(5-methylhexan-2-yl)benzenesulfonamide is CC(C)CCC(C)NS(=O)(=O)c1c(Br)cc(N)cc1Br.
What is the InChIKey of 4-amino-2,6-dibromo-N-(5-methylhexan-2-yl)benzenesulfonamide?
The InChIKey is DXHIJUPWKJJINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Br2N2O2S/c1-8(2)4-5-9(3)17-20(18,19)13-11(14)6-10(16)7-12(13)15/h6-9,17H,4-5,16H2,1-3H3.
What are the key properties of 4-amino-2,6-dibromo-N-(5-methylhexan-2-yl)benzenesulfonamide?
4-amino-2,6-dibromo-N-(5-methylhexan-2-yl)benzenesulfonamide has a molecular weight of 428.19 g/mol, XLogP of 3.90, 6 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-(5-methylhexan-2-yl)benzenesulfonamide is sourced from PubChem (CID 43576430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).