N-[[2-(bromomethyl)cyclopentyl]methyl]-1,1-difluoromethanesulfonamide

C8H14BrF2NO2S — CID 114295253

IUPACN-[[2-(bromomethyl)cyclopentyl]methyl]-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(NCC1CCCC1CBr)C(F)F
InChIInChI=1S/C8H14BrF2NO2S/c9-4-6-2-1-3-7(6)5-12-15(13,14)8(10)11/h6-8,12H,1-5H2
InChIKeyUQBXTMDCIBGFTO-UHFFFAOYSA-N
MW306.17 g/mol
LogP1.94
Rot. Bonds5

About N-[[2-(bromomethyl)cyclopentyl]methyl]-1,1-difluoromethanesulfonamide

N-[[2-(bromomethyl)cyclopentyl]methyl]-1,1-difluoromethanesulfonamide (PubChem CID 114295253) has the molecular formula C8H14BrF2NO2S and a molecular weight of 306.17 g/mol. Its IUPAC name is N-[[2-(bromomethyl)cyclopentyl]methyl]-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-[[2-(bromomethyl)cyclopentyl]methyl]-1,1-difluoromethanesulfonamide
PubChem CID114295253
Molecular FormulaC8H14BrF2NO2S
Molecular Weight306.17 g/mol
Exact Mass304.99
IUPAC NameN-[[2-(bromomethyl)cyclopentyl]methyl]-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(NCC1CCCC1CBr)C(F)F
InChIInChI=1S/C8H14BrF2NO2S/c9-4-6-2-1-3-7(6)5-12-15(13,14)8(10)11/h6-8,12H,1-5H2
InChIKeyUQBXTMDCIBGFTO-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-[[2-(bromomethyl)cyclopentyl]methyl]-1,1-difluoromethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-(aminomethyl)cyclopentyl]methyl]-1,1-difluoromethanesulfonamide
CID 65926144
N-[[2-(bromomethyl)cyclopentyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83058945
N-[2-(2-bromoethyl)pentyl]-1,1-difluoromethanesulfonamide
CID 106118369
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-[2-(bromomethyl)cyclopentyl]-1,1-difluoromethanesulfonamide
CID 106367461
N-[(2-bromocyclopentyl)methyl]-1,1-difluoromethanesulfonamide
CID 114293659
N-[[2-(bromomethyl)cyclohexyl]methyl]-1,1-difluoromethanesulfonamide
CID 114295418
N-[(2-bromocyclohexyl)methyl]-1,1-difluoromethanesulfonamide
CID 114297517
N-[[1-(bromomethyl)cyclopentyl]methyl]-1,1-difluoromethanesulfonamide
CID 115365110
N-[[2-(bromomethyl)cyclopentyl]methyl]methanesulfonamide
CID 114295215

Frequently Asked Questions

What is the IUPAC name of N-[[2-(bromomethyl)cyclopentyl]methyl]-1,1-difluoromethanesulfonamide?
The IUPAC name of N-[[2-(bromomethyl)cyclopentyl]methyl]-1,1-difluoromethanesulfonamide (CID 114295253) is N-[[2-(bromomethyl)cyclopentyl]methyl]-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-[[2-(bromomethyl)cyclopentyl]methyl]-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-[[2-(bromomethyl)cyclopentyl]methyl]-1,1-difluoromethanesulfonamide is O=S(=O)(NCC1CCCC1CBr)C(F)F.
What is the InChIKey of N-[[2-(bromomethyl)cyclopentyl]methyl]-1,1-difluoromethanesulfonamide?
The InChIKey is UQBXTMDCIBGFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrF2NO2S/c9-4-6-2-1-3-7(6)5-12-15(13,14)8(10)11/h6-8,12H,1-5H2.
What are the key properties of N-[[2-(bromomethyl)cyclopentyl]methyl]-1,1-difluoromethanesulfonamide?
N-[[2-(bromomethyl)cyclopentyl]methyl]-1,1-difluoromethanesulfonamide has a molecular weight of 306.17 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(bromomethyl)cyclopentyl]methyl]-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 114295253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).