4-amino-2,6-dibromo-N-(2-methylbutyl)benzenesulfonamide

C11H16Br2N2O2S — CID 62700585

IUPAC4-amino-2,6-dibromo-N-(2-methylbutyl)benzenesulfonamide
SMILESCCC(C)CNS(=O)(=O)c1c(Br)cc(N)cc1Br
InChIInChI=1S/C11H16Br2N2O2S/c1-3-7(2)6-15-18(16,17)11-9(12)4-8(14)5-10(11)13/h4-5,7,15H,3,6,14H2,1-2H3
InChIKeyLYDHMGMYDQTIHH-UHFFFAOYSA-N
MW400.14 g/mol
LogP3.12
Rot. Bonds5

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

4-amino-2,6-dibromo-N-(2-methylbutyl)benzenesulfonamide (PubChem CID 62700585) 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-methylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dibromo-N-(2-methylbutyl)benzenesulfonamide
PubChem CID62700585
Molecular FormulaC11H16Br2N2O2S
Molecular Weight400.14 g/mol
Exact Mass397.93
IUPAC Name4-amino-2,6-dibromo-N-(2-methylbutyl)benzenesulfonamide
SMILESCCC(C)CNS(=O)(=O)c1c(Br)cc(N)cc1Br
InChIInChI=1S/C11H16Br2N2O2S/c1-3-7(2)6-15-18(16,17)11-9(12)4-8(14)5-10(11)13/h4-5,7,15H,3,6,14H2,1-2H3
InChIKeyLYDHMGMYDQTIHH-UHFFFAOYSA-N
XLogP3.12
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.14
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2,6-dibromo-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 61463460
5-amino-4-bromo-2-methyl-N-(2-methylbutyl)benzenesulfonamide
CID 114625611
4-amino-2,6-dibromo-N-but-2-ynylbenzenesulfonamide
CID 113464460
4-amino-2,6-dibromo-N-pentan-2-ylbenzenesulfonamide
CID 43258159
2-amino-4-bromo-N-(2-methylbutyl)benzenesulfonamide
CID 62700584
4-amino-2,6-dibromo-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 93081162
4-amino-2,6-dibromo-N-methyl-N-(2-methylbutyl)benzenesulfonamide
CID 43295470
4-amino-2,6-dibromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 104758524
2-bromo-N-(2-methylbutyl)benzenesulfonamide
CID 3614286
2-[(4-amino-2,6-dibromophenyl)sulfonylamino]acetamide
CID 43257086
4-amino-2,6-dibromo-N-(5-methylhexan-2-yl)benzenesulfonamide
CID 43576430
2-amino-4,5-dimethyl-N-(2-methylbutyl)benzenesulfonamide
CID 62699271

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dibromo-N-(2-methylbutyl)benzenesulfonamide?
The IUPAC name of 4-amino-2,6-dibromo-N-(2-methylbutyl)benzenesulfonamide (CID 62700585) is 4-amino-2,6-dibromo-N-(2-methylbutyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dibromo-N-(2-methylbutyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dibromo-N-(2-methylbutyl)benzenesulfonamide is CCC(C)CNS(=O)(=O)c1c(Br)cc(N)cc1Br.
What is the InChIKey of 4-amino-2,6-dibromo-N-(2-methylbutyl)benzenesulfonamide?
The InChIKey is LYDHMGMYDQTIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Br2N2O2S/c1-3-7(2)6-15-18(16,17)11-9(12)4-8(14)5-10(11)13/h4-5,7,15H,3,6,14H2,1-2H3.
What are the key properties of 4-amino-2,6-dibromo-N-(2-methylbutyl)benzenesulfonamide?
4-amino-2,6-dibromo-N-(2-methylbutyl)benzenesulfonamide has a molecular weight of 400.14 g/mol, XLogP of 3.12, 5 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-methylbutyl)benzenesulfonamide is sourced from PubChem (CID 62700585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).