N-(1-bromo-2-methylpropan-2-yl)-2-(trifluoromethyl)benzenesulfonamide

C11H13BrF3NO2S — CID 113271978

IUPACN-(1-bromo-2-methylpropan-2-yl)-2-(trifluoromethyl)benzenesulfonamide
SMILESCC(C)(CBr)NS(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C11H13BrF3NO2S/c1-10(2,7-12)16-19(17,18)9-6-4-3-5-8(9)11(13,14)15/h3-6,16H,7H2,1-2H3
InChIKeyUIXNCZBVESBEFV-UHFFFAOYSA-N
MW360.20 g/mol
LogP3.16
Rot. Bonds4

About N-(1-bromo-2-methylpropan-2-yl)-2-(trifluoromethyl)benzenesulfonamide

N-(1-bromo-2-methylpropan-2-yl)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 113271978) has the molecular formula C11H13BrF3NO2S and a molecular weight of 360.20 g/mol. Its IUPAC name is N-(1-bromo-2-methylpropan-2-yl)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-bromo-2-methylpropan-2-yl)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID113271978
Molecular FormulaC11H13BrF3NO2S
Molecular Weight360.20 g/mol
Exact Mass358.98
IUPAC NameN-(1-bromo-2-methylpropan-2-yl)-2-(trifluoromethyl)benzenesulfonamide
SMILESCC(C)(CBr)NS(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C11H13BrF3NO2S/c1-10(2,7-12)16-19(17,18)9-6-4-3-5-8(9)11(13,14)15/h3-6,16H,7H2,1-2H3
InChIKeyUIXNCZBVESBEFV-UHFFFAOYSA-N
XLogP3.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.20
LogP ≤ 53.16
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

N-ethyl-2-(trifluoromethyl)benzenesulfonamide
CID 43212836
N-(2-cyanopropan-2-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 61126492
N-(4-bromo-2,2-dimethylbutyl)-2-(trifluoromethyl)benzenesulfonamide
CID 106145755
N-(5-bromopentan-2-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 114294910
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 119985196
3-hydroxy-2-methyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid
CID 167825235
N-(3-bromobutyl)-2-(trifluoromethyl)benzenesulfonamide
CID 113271815
N-[1-(4-methylphenyl)propyl]-2-(trifluoromethyl)benzenesulfonamide
CID 43001318
N-benzhydryl-2-(trifluoromethyl)benzenesulfonamide
CID 2568637
2-(trifluoromethyl)-N-[4-[[2-(trifluoromethyl)phenyl]sulfonylamino]naphthalen-1-yl]benzenesulfonamide
CID 172801513
N-(3-hydroxybutyl)-2-(trifluoromethyl)benzenesulfonamide
CID 64911010
[2,2-dimethyl-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propyl]-dimethylazanium
CID 8716900

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-2-methylpropan-2-yl)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(1-bromo-2-methylpropan-2-yl)-2-(trifluoromethyl)benzenesulfonamide (CID 113271978) is N-(1-bromo-2-methylpropan-2-yl)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(1-bromo-2-methylpropan-2-yl)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(1-bromo-2-methylpropan-2-yl)-2-(trifluoromethyl)benzenesulfonamide is CC(C)(CBr)NS(=O)(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(1-bromo-2-methylpropan-2-yl)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is UIXNCZBVESBEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF3NO2S/c1-10(2,7-12)16-19(17,18)9-6-4-3-5-8(9)11(13,14)15/h3-6,16H,7H2,1-2H3.
What are the key properties of N-(1-bromo-2-methylpropan-2-yl)-2-(trifluoromethyl)benzenesulfonamide?
N-(1-bromo-2-methylpropan-2-yl)-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 360.20 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-2-methylpropan-2-yl)-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 113271978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).