2-bromo-4,6-difluoro-N-(4-hydroxy-2,2-dimethylbutyl)benzenesulfonamide

C12H16BrF2NO3S — CID 106143817

IUPAC2-bromo-4,6-difluoro-N-(4-hydroxy-2,2-dimethylbutyl)benzenesulfonamide
SMILESCC(C)(CCO)CNS(=O)(=O)c1c(F)cc(F)cc1Br
InChIInChI=1S/C12H16BrF2NO3S/c1-12(2,3-4-17)7-16-20(18,19)11-9(13)5-8(14)6-10(11)15/h5-6,16-17H,3-4,7H2,1-2H3
InChIKeyUQKAFINJJLELCX-UHFFFAOYSA-N
MW372.23 g/mol
LogP2.41
Rot. Bonds6

About 2-bromo-4,6-difluoro-N-(4-hydroxy-2,2-dimethylbutyl)benzenesulfonamide

2-bromo-4,6-difluoro-N-(4-hydroxy-2,2-dimethylbutyl)benzenesulfonamide (PubChem CID 106143817) has the molecular formula C12H16BrF2NO3S and a molecular weight of 372.23 g/mol. Its IUPAC name is 2-bromo-4,6-difluoro-N-(4-hydroxy-2,2-dimethylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4,6-difluoro-N-(4-hydroxy-2,2-dimethylbutyl)benzenesulfonamide
PubChem CID106143817
Molecular FormulaC12H16BrF2NO3S
Molecular Weight372.23 g/mol
Exact Mass371.00
IUPAC Name2-bromo-4,6-difluoro-N-(4-hydroxy-2,2-dimethylbutyl)benzenesulfonamide
SMILESCC(C)(CCO)CNS(=O)(=O)c1c(F)cc(F)cc1Br
InChIInChI=1S/C12H16BrF2NO3S/c1-12(2,3-4-17)7-16-20(18,19)11-9(13)5-8(14)6-10(11)15/h5-6,16-17H,3-4,7H2,1-2H3
InChIKeyUQKAFINJJLELCX-UHFFFAOYSA-N
XLogP2.41
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.23
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-amino-2,2-dimethylbutyl)-2,4,6-trifluorobenzenesulfonamide
CID 106141646
2-bromo-4,6-difluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60643600
2-bromo-4,6-difluoro-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114616375
3-amino-4-fluoro-N-(4-hydroxy-2,2-dimethylbutyl)-2,6-dimethylbenzenesulfonamide
CID 106139845
5-amino-3-fluoro-N-(4-hydroxy-2,2-dimethylbutyl)-2-methylbenzenesulfonamide
CID 106139792
2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]-N-propylacetamide
CID 60628452
3-[(2-bromo-4,6-difluorophenyl)sulfonylamino]propanoic acid
CID 43091467
methyl 3-[(2-bromo-4,6-difluorophenyl)sulfonylamino]propanoate
CID 60639552
4-bromo-N-(4-hydroxy-2,2-dimethylbutyl)-3-methylbenzenesulfonamide
CID 113318758
2-bromo-4,6-difluoro-N-(4-hydroxypentyl)benzenesulfonamide
CID 106125988
2-bromo-4,6-difluoro-N-(2-methylsulfanylpropyl)benzenesulfonamide
CID 113466867
2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]ethyl carbamate
CID 83203648

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,6-difluoro-N-(4-hydroxy-2,2-dimethylbutyl)benzenesulfonamide?
The IUPAC name of 2-bromo-4,6-difluoro-N-(4-hydroxy-2,2-dimethylbutyl)benzenesulfonamide (CID 106143817) is 2-bromo-4,6-difluoro-N-(4-hydroxy-2,2-dimethylbutyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-4,6-difluoro-N-(4-hydroxy-2,2-dimethylbutyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-4,6-difluoro-N-(4-hydroxy-2,2-dimethylbutyl)benzenesulfonamide is CC(C)(CCO)CNS(=O)(=O)c1c(F)cc(F)cc1Br.
What is the InChIKey of 2-bromo-4,6-difluoro-N-(4-hydroxy-2,2-dimethylbutyl)benzenesulfonamide?
The InChIKey is UQKAFINJJLELCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrF2NO3S/c1-12(2,3-4-17)7-16-20(18,19)11-9(13)5-8(14)6-10(11)15/h5-6,16-17H,3-4,7H2,1-2H3.
What are the key properties of 2-bromo-4,6-difluoro-N-(4-hydroxy-2,2-dimethylbutyl)benzenesulfonamide?
2-bromo-4,6-difluoro-N-(4-hydroxy-2,2-dimethylbutyl)benzenesulfonamide has a molecular weight of 372.23 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,6-difluoro-N-(4-hydroxy-2,2-dimethylbutyl)benzenesulfonamide is sourced from PubChem (CID 106143817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).