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

C6H10BrF2NO2S — CID 115456569

IUPACN-[[1-(bromomethyl)cyclopropyl]methyl]-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(NCC1(CBr)CC1)C(F)F
InChIInChI=1S/C6H10BrF2NO2S/c7-3-6(1-2-6)4-10-13(11,12)5(8)9/h5,10H,1-4H2
InChIKeySFKUGMCCNAUZIR-UHFFFAOYSA-N
MW278.12 g/mol
LogP1.30
Rot. Bonds5

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

N-[[1-(bromomethyl)cyclopropyl]methyl]-1,1-difluoromethanesulfonamide (PubChem CID 115456569) has the molecular formula C6H10BrF2NO2S and a molecular weight of 278.12 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclopropyl]methyl]-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclopropyl]methyl]-1,1-difluoromethanesulfonamide
PubChem CID115456569
Molecular FormulaC6H10BrF2NO2S
Molecular Weight278.12 g/mol
Exact Mass276.96
IUPAC NameN-[[1-(bromomethyl)cyclopropyl]methyl]-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(NCC1(CBr)CC1)C(F)F
InChIInChI=1S/C6H10BrF2NO2S/c7-3-6(1-2-6)4-10-13(11,12)5(8)9/h5,10H,1-4H2
InChIKeySFKUGMCCNAUZIR-UHFFFAOYSA-N
XLogP1.30
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.12
LogP ≤ 51.30
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-(trifluoromethyl)cyclopropyl]methyl]methanesulfonamide
CID 69564211
N-[[1-(bromomethyl)cyclopropyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83059125
N-(4-bromo-2,2-dimethylbutyl)-1,1-difluoromethanesulfonamide
CID 106145803
N-(4-bromobutyl)-1,1-difluoromethanesulfonamide
CID 106846710
N-(2-bromo-2-cyclopropylethyl)-1,1-difluoromethanesulfonamide
CID 114294539
N-(4-bromo-2-methylbutyl)-1,1-difluoromethanesulfonamide
CID 114295070
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-1,1-difluoromethanesulfonamide
CID 114758667
N-(3-bromo-2,2-dimethylpropyl)-1,1-difluoromethanesulfonamide
CID 115365261
N-[[1-(bromomethyl)cyclopropyl]methyl]methanesulfonamide
CID 115456558

Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cyclopropyl]methyl]-1,1-difluoromethanesulfonamide?
The IUPAC name of N-[[1-(bromomethyl)cyclopropyl]methyl]-1,1-difluoromethanesulfonamide (CID 115456569) is N-[[1-(bromomethyl)cyclopropyl]methyl]-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-[[1-(bromomethyl)cyclopropyl]methyl]-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-[[1-(bromomethyl)cyclopropyl]methyl]-1,1-difluoromethanesulfonamide is O=S(=O)(NCC1(CBr)CC1)C(F)F.
What is the InChIKey of N-[[1-(bromomethyl)cyclopropyl]methyl]-1,1-difluoromethanesulfonamide?
The InChIKey is SFKUGMCCNAUZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10BrF2NO2S/c7-3-6(1-2-6)4-10-13(11,12)5(8)9/h5,10H,1-4H2.
What are the key properties of N-[[1-(bromomethyl)cyclopropyl]methyl]-1,1-difluoromethanesulfonamide?
N-[[1-(bromomethyl)cyclopropyl]methyl]-1,1-difluoromethanesulfonamide has a molecular weight of 278.12 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cyclopropyl]methyl]-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 115456569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).