N-[[1-(bromomethyl)cyclopentyl]methyl]-1,1-difluoromethanesulfonamide

C8H14BrF2NO2S — CID 115365110

IUPACN-[[1-(bromomethyl)cyclopentyl]methyl]-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(NCC1(CBr)CCCC1)C(F)F
InChIInChI=1S/C8H14BrF2NO2S/c9-5-8(3-1-2-4-8)6-12-15(13,14)7(10)11/h7,12H,1-6H2
InChIKeyGESUWVGJWRRJPN-UHFFFAOYSA-N
MW306.17 g/mol
LogP2.08
Rot. Bonds5

About N-[[1-(bromomethyl)cyclopentyl]methyl]-1,1-difluoromethanesulfonamide

N-[[1-(bromomethyl)cyclopentyl]methyl]-1,1-difluoromethanesulfonamide (PubChem CID 115365110) has the molecular formula C8H14BrF2NO2S and a molecular weight of 306.17 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclopentyl]methyl]-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclopentyl]methyl]-1,1-difluoromethanesulfonamide
PubChem CID115365110
Molecular FormulaC8H14BrF2NO2S
Molecular Weight306.17 g/mol
Exact Mass304.99
IUPAC NameN-[[1-(bromomethyl)cyclopentyl]methyl]-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(NCC1(CBr)CCCC1)C(F)F
InChIInChI=1S/C8H14BrF2NO2S/c9-5-8(3-1-2-4-8)6-12-15(13,14)7(10)11/h7,12H,1-6H2
InChIKeyGESUWVGJWRRJPN-UHFFFAOYSA-N
XLogP2.08
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.17
LogP ≤ 52.08
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)cyclopentyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83058817
N-[[1-(bromomethyl)cyclohexyl]methyl]-1,1-difluoromethanesulfonamide
CID 103969934
N-[(3-bromocyclopentyl)methyl]-1,1-difluoromethanesulfonamide
CID 106135086
N-(5-bromo-2,2-dimethylpentyl)-1,1-difluoromethanesulfonamide
CID 106146432
N-[2-(bromomethyl)-2-ethylbutyl]-1,1-difluoromethanesulfonamide
CID 106255962
N-[(2-bromocyclopentyl)methyl]-1,1-difluoromethanesulfonamide
CID 114293659
N-[[2-(bromomethyl)cyclopentyl]methyl]-1,1-difluoromethanesulfonamide
CID 114295253
N-[[1-(bromomethyl)cyclopentyl]methyl]methanesulfonamide
CID 115365114

Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cyclopentyl]methyl]-1,1-difluoromethanesulfonamide?
The IUPAC name of N-[[1-(bromomethyl)cyclopentyl]methyl]-1,1-difluoromethanesulfonamide (CID 115365110) is N-[[1-(bromomethyl)cyclopentyl]methyl]-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-[[1-(bromomethyl)cyclopentyl]methyl]-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-[[1-(bromomethyl)cyclopentyl]methyl]-1,1-difluoromethanesulfonamide is O=S(=O)(NCC1(CBr)CCCC1)C(F)F.
What is the InChIKey of N-[[1-(bromomethyl)cyclopentyl]methyl]-1,1-difluoromethanesulfonamide?
The InChIKey is GESUWVGJWRRJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrF2NO2S/c9-5-8(3-1-2-4-8)6-12-15(13,14)7(10)11/h7,12H,1-6H2.
What are the key properties of N-[[1-(bromomethyl)cyclopentyl]methyl]-1,1-difluoromethanesulfonamide?
N-[[1-(bromomethyl)cyclopentyl]methyl]-1,1-difluoromethanesulfonamide has a molecular weight of 306.17 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cyclopentyl]methyl]-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 115365110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).