2,4-dibromo-N-(2-hydroxy-2,4-dimethylpentyl)benzenesulfonamide

C13H19Br2NO3S — CID 66180968

IUPAC2,4-dibromo-N-(2-hydroxy-2,4-dimethylpentyl)benzenesulfonamide
SMILESCC(C)CC(C)(O)CNS(=O)(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C13H19Br2NO3S/c1-9(2)7-13(3,17)8-16-20(18,19)12-5-4-10(14)6-11(12)15/h4-6,9,16-17H,7-8H2,1-3H3
InChIKeyJRFFBBAUMFQCJF-UHFFFAOYSA-N
MW429.17 g/mol
LogP3.29
Rot. Bonds6

About 2,4-dibromo-N-(2-hydroxy-2,4-dimethylpentyl)benzenesulfonamide

2,4-dibromo-N-(2-hydroxy-2,4-dimethylpentyl)benzenesulfonamide (PubChem CID 66180968) has the molecular formula C13H19Br2NO3S and a molecular weight of 429.17 g/mol. Its IUPAC name is 2,4-dibromo-N-(2-hydroxy-2,4-dimethylpentyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dibromo-N-(2-hydroxy-2,4-dimethylpentyl)benzenesulfonamide
PubChem CID66180968
Molecular FormulaC13H19Br2NO3S
Molecular Weight429.17 g/mol
Exact Mass426.95
IUPAC Name2,4-dibromo-N-(2-hydroxy-2,4-dimethylpentyl)benzenesulfonamide
SMILESCC(C)CC(C)(O)CNS(=O)(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C13H19Br2NO3S/c1-9(2)7-13(3,17)8-16-20(18,19)12-5-4-10(14)6-11(12)15/h4-6,9,16-17H,7-8H2,1-3H3
InChIKeyJRFFBBAUMFQCJF-UHFFFAOYSA-N
XLogP3.29
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.17
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(2-hydroxy-2,4-dimethylpentyl)benzenesulfonamide
CID 66180763
2,3,4-trifluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzenesulfonamide
CID 66181163
2-bromo-N-(2,3-dihydroxy-2-methylpropyl)-4-fluorobenzenesulfonamide
CID 66170192
4-amino-N-(2-hydroxy-2,4-dimethylpentyl)-3-methylbenzenesulfonamide
CID 66179306
5-amino-2-fluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzenesulfonamide
CID 66179689
4-amino-N-(2-hydroxy-2,4-dimethylpentyl)-2-methoxybenzenesulfonamide
CID 66179699
5-bromo-4-[(2-hydroxy-2,4-dimethylpentyl)sulfamoyl]thiophene-2-carboxylic acid
CID 66172242
4-(bromomethyl)-N-(2-hydroxy-2,4-dimethylpentyl)benzenesulfonamide
CID 66171878
5-amino-2,3-difluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzenesulfonamide
CID 66181065
2,4-dibromo-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824508
2,4-dibromo-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide
CID 103834064
3-fluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzenesulfonamide
CID 66179000

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(2-hydroxy-2,4-dimethylpentyl)benzenesulfonamide?
The IUPAC name of 2,4-dibromo-N-(2-hydroxy-2,4-dimethylpentyl)benzenesulfonamide (CID 66180968) is 2,4-dibromo-N-(2-hydroxy-2,4-dimethylpentyl)benzenesulfonamide.
What is the SMILES notation for 2,4-dibromo-N-(2-hydroxy-2,4-dimethylpentyl)benzenesulfonamide?
The canonical SMILES for 2,4-dibromo-N-(2-hydroxy-2,4-dimethylpentyl)benzenesulfonamide is CC(C)CC(C)(O)CNS(=O)(=O)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-(2-hydroxy-2,4-dimethylpentyl)benzenesulfonamide?
The InChIKey is JRFFBBAUMFQCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Br2NO3S/c1-9(2)7-13(3,17)8-16-20(18,19)12-5-4-10(14)6-11(12)15/h4-6,9,16-17H,7-8H2,1-3H3.
What are the key properties of 2,4-dibromo-N-(2-hydroxy-2,4-dimethylpentyl)benzenesulfonamide?
2,4-dibromo-N-(2-hydroxy-2,4-dimethylpentyl)benzenesulfonamide has a molecular weight of 429.17 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(2-hydroxy-2,4-dimethylpentyl)benzenesulfonamide is sourced from PubChem (CID 66180968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).