2,5-dibromo-N-(4-bromo-2-methylbutyl)benzenesulfonamide

C11H14Br3NO2S — CID 114295168

IUPAC2,5-dibromo-N-(4-bromo-2-methylbutyl)benzenesulfonamide
SMILESCC(CCBr)CNS(=O)(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C11H14Br3NO2S/c1-8(4-5-12)7-15-18(16,17)11-6-9(13)2-3-10(11)14/h2-3,6,8,15H,4-5,7H2,1H3
InChIKeyBBHLASURZURLGX-UHFFFAOYSA-N
MW464.02 g/mol
LogP3.91
Rot. Bonds6

About 2,5-dibromo-N-(4-bromo-2-methylbutyl)benzenesulfonamide

2,5-dibromo-N-(4-bromo-2-methylbutyl)benzenesulfonamide (PubChem CID 114295168) has the molecular formula C11H14Br3NO2S and a molecular weight of 464.02 g/mol. Its IUPAC name is 2,5-dibromo-N-(4-bromo-2-methylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N-(4-bromo-2-methylbutyl)benzenesulfonamide
PubChem CID114295168
Molecular FormulaC11H14Br3NO2S
Molecular Weight464.02 g/mol
Exact Mass460.83
IUPAC Name2,5-dibromo-N-(4-bromo-2-methylbutyl)benzenesulfonamide
SMILESCC(CCBr)CNS(=O)(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C11H14Br3NO2S/c1-8(4-5-12)7-15-18(16,17)11-6-9(13)2-3-10(11)14/h2-3,6,8,15H,4-5,7H2,1H3
InChIKeyBBHLASURZURLGX-UHFFFAOYSA-N
XLogP3.91
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.02
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-dibromo-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824924
2,5-dibromo-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824923
2,5-dibromo-N-(3-bromobutyl)benzenesulfonamide
CID 114297785
N-(3-aminobutyl)-2,5-dibromobenzenesulfonamide
CID 55169700
2,5-dibromo-N-[2-[(2,5-dibromophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 100820102
2-amino-5-bromo-N-(4-hydroxy-2-methylbutyl)benzenesulfonamide
CID 66089868
2,5-dibromo-N-(5-hydroxy-4-methylpentyl)benzenesulfonamide
CID 103858962
5-bromo-N-(4-hydroxy-2-methylbutyl)-2-methoxybenzenesulfonamide
CID 66107574
2,5-dibromo-N-(3-chloropentyl)benzenesulfonamide
CID 113498030
2,5-dibromo-N-(2-bromo-2-cyclopropylethyl)benzenesulfonamide
CID 114294646
5-bromo-2-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 8777819
2,5-dibromo-N-(2-methylpropoxy)benzenesulfonamide
CID 82715356

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(4-bromo-2-methylbutyl)benzenesulfonamide?
The IUPAC name of 2,5-dibromo-N-(4-bromo-2-methylbutyl)benzenesulfonamide (CID 114295168) is 2,5-dibromo-N-(4-bromo-2-methylbutyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-N-(4-bromo-2-methylbutyl)benzenesulfonamide?
The canonical SMILES for 2,5-dibromo-N-(4-bromo-2-methylbutyl)benzenesulfonamide is CC(CCBr)CNS(=O)(=O)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-(4-bromo-2-methylbutyl)benzenesulfonamide?
The InChIKey is BBHLASURZURLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Br3NO2S/c1-8(4-5-12)7-15-18(16,17)11-6-9(13)2-3-10(11)14/h2-3,6,8,15H,4-5,7H2,1H3.
What are the key properties of 2,5-dibromo-N-(4-bromo-2-methylbutyl)benzenesulfonamide?
2,5-dibromo-N-(4-bromo-2-methylbutyl)benzenesulfonamide has a molecular weight of 464.02 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(4-bromo-2-methylbutyl)benzenesulfonamide is sourced from PubChem (CID 114295168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).