5-bromo-N-(2-hydroxy-2-methylpropyl)-2-(trifluoromethyl)benzenesulfonamide

C11H13BrF3NO3S — CID 166003430

IUPAC5-bromo-N-(2-hydroxy-2-methylpropyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESCC(C)(O)CNS(=O)(=O)c1cc(Br)ccc1C(F)(F)F
InChIInChI=1S/C11H13BrF3NO3S/c1-10(2,17)6-16-20(18,19)9-5-7(12)3-4-8(9)11(13,14)15/h3-5,16-17H,6H2,1-2H3
InChIKeyIJPHKXQWUNEHCU-UHFFFAOYSA-N
MW376.19 g/mol
LogP2.52
Rot. Bonds4

About 5-bromo-N-(2-hydroxy-2-methylpropyl)-2-(trifluoromethyl)benzenesulfonamide

5-bromo-N-(2-hydroxy-2-methylpropyl)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 166003430) has the molecular formula C11H13BrF3NO3S and a molecular weight of 376.19 g/mol. Its IUPAC name is 5-bromo-N-(2-hydroxy-2-methylpropyl)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2-hydroxy-2-methylpropyl)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID166003430
Molecular FormulaC11H13BrF3NO3S
Molecular Weight376.19 g/mol
Exact Mass374.98
IUPAC Name5-bromo-N-(2-hydroxy-2-methylpropyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESCC(C)(O)CNS(=O)(=O)c1cc(Br)ccc1C(F)(F)F
InChIInChI=1S/C11H13BrF3NO3S/c1-10(2,17)6-16-20(18,19)9-5-7(12)3-4-8(9)11(13,14)15/h3-5,16-17H,6H2,1-2H3
InChIKeyIJPHKXQWUNEHCU-UHFFFAOYSA-N
XLogP2.52
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.19
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N,2-dimethylbenzene-1-sulfonamide
CID 8777805
4-bromo-N-propyl-2-(trifluoromethyl)benzenesulfonamide
CID 47304372
4-bromo-N-ethyl-2-(trifluoromethyl)benzenesulfonamide
CID 68481010
3-bromo-N-(2-hydroxyethyl)-5-(trifluoromethyl)benzenesulfonamide
CID 68754606
2-Bromo-N-(2-hydroxyethyl)-5-(trifluoromethyl)benzenesulfonamide
CID 90312738
2-Bromo-N-ethyl-5-(trifluoromethyl)benzenesulfonamide
CID 90313690
4-bromo-2-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 90460281
5-bromo-4-fluoro-N-(2-hydroxy-2-methylpropyl)-2-methylbenzenesulfonamide
CID 118469852
5-bromo-2-fluoro-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide
CID 118470523
2-bromo-N-(2-methylallyl)-5-(trifluoromethyl)benzenesulfonamide
CID 126754182
3-bromo-5-fluoro-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide
CID 132260761
5-bromo-N,N-dimethyl-2-(trifluoromethyl)benzenesulfonamide
CID 162727929

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-hydroxy-2-methylpropyl)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 5-bromo-N-(2-hydroxy-2-methylpropyl)-2-(trifluoromethyl)benzenesulfonamide (CID 166003430) is 5-bromo-N-(2-hydroxy-2-methylpropyl)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 5-bromo-N-(2-hydroxy-2-methylpropyl)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 5-bromo-N-(2-hydroxy-2-methylpropyl)-2-(trifluoromethyl)benzenesulfonamide is CC(C)(O)CNS(=O)(=O)c1cc(Br)ccc1C(F)(F)F.
What is the InChIKey of 5-bromo-N-(2-hydroxy-2-methylpropyl)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is IJPHKXQWUNEHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF3NO3S/c1-10(2,17)6-16-20(18,19)9-5-7(12)3-4-8(9)11(13,14)15/h3-5,16-17H,6H2,1-2H3.
What are the key properties of 5-bromo-N-(2-hydroxy-2-methylpropyl)-2-(trifluoromethyl)benzenesulfonamide?
5-bromo-N-(2-hydroxy-2-methylpropyl)-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 376.19 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-hydroxy-2-methylpropyl)-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 166003430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).