N-(5-bromo-2,2-dimethylpentyl)-1,1-difluoromethanesulfonamide

C8H16BrF2NO2S — CID 106146432

IUPACN-(5-bromo-2,2-dimethylpentyl)-1,1-difluoromethanesulfonamide
SMILESCC(C)(CCCBr)CNS(=O)(=O)C(F)F
InChIInChI=1S/C8H16BrF2NO2S/c1-8(2,4-3-5-9)6-12-15(13,14)7(10)11/h7,12H,3-6H2,1-2H3
InChIKeyQYMANQLRQBZPNX-UHFFFAOYSA-N
MW308.19 g/mol
LogP2.33
Rot. Bonds7

About N-(5-bromo-2,2-dimethylpentyl)-1,1-difluoromethanesulfonamide

N-(5-bromo-2,2-dimethylpentyl)-1,1-difluoromethanesulfonamide (PubChem CID 106146432) has the molecular formula C8H16BrF2NO2S and a molecular weight of 308.19 g/mol. Its IUPAC name is N-(5-bromo-2,2-dimethylpentyl)-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2,2-dimethylpentyl)-1,1-difluoromethanesulfonamide
PubChem CID106146432
Molecular FormulaC8H16BrF2NO2S
Molecular Weight308.19 g/mol
Exact Mass307.01
IUPAC NameN-(5-bromo-2,2-dimethylpentyl)-1,1-difluoromethanesulfonamide
SMILESCC(C)(CCCBr)CNS(=O)(=O)C(F)F
InChIInChI=1S/C8H16BrF2NO2S/c1-8(2,4-3-5-9)6-12-15(13,14)7(10)11/h7,12H,3-6H2,1-2H3
InChIKeyQYMANQLRQBZPNX-UHFFFAOYSA-N
XLogP2.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.19
LogP ≤ 52.33
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-[[1-(bromomethyl)cyclohexyl]methyl]-1,1-difluoromethanesulfonamide
CID 103969934
N-[2-(2-bromoethyl)pentyl]-1,1-difluoromethanesulfonamide
CID 106118369
N-(5-amino-2,2-dimethylpentyl)-1,1-difluoromethanesulfonamide
CID 106141821
N-(4-bromo-2,2-dimethylbutyl)-1,1-difluoromethanesulfonamide
CID 106145803
N-(5-bromo-4-methylpentyl)-1,1-difluoromethanesulfonamide
CID 106158712
N-[2-(bromomethyl)-2-ethylbutyl]-1,1-difluoromethanesulfonamide
CID 106255962
N-(2-bromo-3-ethylpentyl)-1,1-difluoromethanesulfonamide
CID 106288594
N-(1-bromo-4,4-dimethylpentan-3-yl)-1,1-difluoromethanesulfonamide
CID 106356601
N-(2-bromo-4,4-dimethylpentyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 107158094
N-(2-bromo-4,4-dimethylpentyl)-1,1-difluoromethanesulfonamide
CID 107158116
N-(2-bromo-4-methylpentyl)-1,1-difluoromethanesulfonamide
CID 107158216
N-(4-bromo-2,2-dimethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 114149794

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2,2-dimethylpentyl)-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(5-bromo-2,2-dimethylpentyl)-1,1-difluoromethanesulfonamide (CID 106146432) is N-(5-bromo-2,2-dimethylpentyl)-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(5-bromo-2,2-dimethylpentyl)-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(5-bromo-2,2-dimethylpentyl)-1,1-difluoromethanesulfonamide is CC(C)(CCCBr)CNS(=O)(=O)C(F)F.
What is the InChIKey of N-(5-bromo-2,2-dimethylpentyl)-1,1-difluoromethanesulfonamide?
The InChIKey is QYMANQLRQBZPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrF2NO2S/c1-8(2,4-3-5-9)6-12-15(13,14)7(10)11/h7,12H,3-6H2,1-2H3.
What are the key properties of N-(5-bromo-2,2-dimethylpentyl)-1,1-difluoromethanesulfonamide?
N-(5-bromo-2,2-dimethylpentyl)-1,1-difluoromethanesulfonamide has a molecular weight of 308.19 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2,2-dimethylpentyl)-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 106146432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).