N-[2-(2-bromoethyl)pentyl]-1,1-difluoromethanesulfonamide

C8H16BrF2NO2S — CID 106118369

IUPACN-[2-(2-bromoethyl)pentyl]-1,1-difluoromethanesulfonamide
SMILESCCCC(CCBr)CNS(=O)(=O)C(F)F
InChIInChI=1S/C8H16BrF2NO2S/c1-2-3-7(4-5-9)6-12-15(13,14)8(10)11/h7-8,12H,2-6H2,1H3
InChIKeyAQGNZIYYCPDCMY-UHFFFAOYSA-N
MW308.19 g/mol
LogP2.33
Rot. Bonds8

About N-[2-(2-bromoethyl)pentyl]-1,1-difluoromethanesulfonamide

N-[2-(2-bromoethyl)pentyl]-1,1-difluoromethanesulfonamide (PubChem CID 106118369) has the molecular formula C8H16BrF2NO2S and a molecular weight of 308.19 g/mol. Its IUPAC name is N-[2-(2-bromoethyl)pentyl]-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-bromoethyl)pentyl]-1,1-difluoromethanesulfonamide
PubChem CID106118369
Molecular FormulaC8H16BrF2NO2S
Molecular Weight308.19 g/mol
Exact Mass307.01
IUPAC NameN-[2-(2-bromoethyl)pentyl]-1,1-difluoromethanesulfonamide
SMILESCCCC(CCBr)CNS(=O)(=O)C(F)F
InChIInChI=1S/C8H16BrF2NO2S/c1-2-3-7(4-5-9)6-12-15(13,14)8(10)11/h7-8,12H,2-6H2,1H3
InChIKeyAQGNZIYYCPDCMY-UHFFFAOYSA-N
XLogP2.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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-(5-amino-3,3-difluoro-4-methyl-2-propan-2-ylpentyl)methanesulfonamide
CID 139357605
N-(4-bromo-2-ethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83058544
N-[(2-bromocyclopentyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83060154
N-(2-Ethylhexyl)trifluoromethanesulfonamide
CID 101696867
N-[2-(2-aminoethyl)pentyl]-1,1-difluoromethanesulfonamide
CID 106116380
N-[(3-bromocyclopentyl)methyl]-1,1-difluoromethanesulfonamide
CID 106135086
N-[(3-bromocyclohexyl)methyl]-1,1-difluoromethanesulfonamide
CID 106135902
N-[(4-bromocyclohexyl)methyl]-1,1-difluoromethanesulfonamide
CID 106136161
N-(5-bromo-2,2-dimethylpentyl)-1,1-difluoromethanesulfonamide
CID 106146432
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

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoethyl)pentyl]-1,1-difluoromethanesulfonamide?
The IUPAC name of N-[2-(2-bromoethyl)pentyl]-1,1-difluoromethanesulfonamide (CID 106118369) is N-[2-(2-bromoethyl)pentyl]-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-[2-(2-bromoethyl)pentyl]-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-[2-(2-bromoethyl)pentyl]-1,1-difluoromethanesulfonamide is CCCC(CCBr)CNS(=O)(=O)C(F)F.
What is the InChIKey of N-[2-(2-bromoethyl)pentyl]-1,1-difluoromethanesulfonamide?
The InChIKey is AQGNZIYYCPDCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrF2NO2S/c1-2-3-7(4-5-9)6-12-15(13,14)8(10)11/h7-8,12H,2-6H2,1H3.
What are the key properties of N-[2-(2-bromoethyl)pentyl]-1,1-difluoromethanesulfonamide?
N-[2-(2-bromoethyl)pentyl]-1,1-difluoromethanesulfonamide has a molecular weight of 308.19 g/mol, XLogP of 2.33, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromoethyl)pentyl]-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 106118369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).