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

C7H12BrF2NO2S — CID 106367461

IUPACN-[2-(bromomethyl)cyclopentyl]-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(NC1CCCC1CBr)C(F)F
InChIInChI=1S/C7H12BrF2NO2S/c8-4-5-2-1-3-6(5)11-14(12,13)7(9)10/h5-7,11H,1-4H2
InChIKeyQFQIGCARNSLYNV-UHFFFAOYSA-N
MW292.15 g/mol
LogP1.69
Rot. Bonds4

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

N-[2-(bromomethyl)cyclopentyl]-1,1-difluoromethanesulfonamide (PubChem CID 106367461) has the molecular formula C7H12BrF2NO2S and a molecular weight of 292.15 g/mol. Its IUPAC name is N-[2-(bromomethyl)cyclopentyl]-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)cyclopentyl]-1,1-difluoromethanesulfonamide
PubChem CID106367461
Molecular FormulaC7H12BrF2NO2S
Molecular Weight292.15 g/mol
Exact Mass290.97
IUPAC NameN-[2-(bromomethyl)cyclopentyl]-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(NC1CCCC1CBr)C(F)F
InChIInChI=1S/C7H12BrF2NO2S/c8-4-5-2-1-3-6(5)11-14(12,13)7(9)10/h5-7,11H,1-4H2
InChIKeyQFQIGCARNSLYNV-UHFFFAOYSA-N
XLogP1.69
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.15
LogP ≤ 51.69
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-[2-(aminomethyl)cyclopentyl]-1,1-difluoromethanesulfonamide
CID 62955345
N-[(2-aminocyclopentyl)methyl]-1,1-difluoromethanesulfonamide
CID 65838612
1,1,1-trifluoro-N-[(1S,2R)-2-methylcyclopentyl]methanesulfonamide
CID 101913203
N-[(3-bromocyclopentyl)methyl]-1,1-difluoromethanesulfonamide
CID 106135086
N-[2-(bromomethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 106367493
N-[2-(bromomethyl)cyclohexyl]-1,1-difluoromethanesulfonamide
CID 106367663
N-[(2-bromocyclopentyl)methyl]-1,1-difluoromethanesulfonamide
CID 114293659
N-[[2-(bromomethyl)cyclopentyl]methyl]-1,1-difluoromethanesulfonamide
CID 114295253
N-[1-(bromomethyl)cyclopentyl]-1,1-difluoromethanesulfonamide
CID 114297097
N-(1-bromo-4-methylpentan-2-yl)-1,1-difluoromethanesulfonamide
CID 114297249
1,1-difluoro-N-(2-methylcyclopentyl)methanesulfonamide
CID 130677308
1-bromo-N-(2-methylcyclopentyl)methanesulfonamide
CID 83085566

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)cyclopentyl]-1,1-difluoromethanesulfonamide?
The IUPAC name of N-[2-(bromomethyl)cyclopentyl]-1,1-difluoromethanesulfonamide (CID 106367461) is N-[2-(bromomethyl)cyclopentyl]-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-[2-(bromomethyl)cyclopentyl]-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-[2-(bromomethyl)cyclopentyl]-1,1-difluoromethanesulfonamide is O=S(=O)(NC1CCCC1CBr)C(F)F.
What is the InChIKey of N-[2-(bromomethyl)cyclopentyl]-1,1-difluoromethanesulfonamide?
The InChIKey is QFQIGCARNSLYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12BrF2NO2S/c8-4-5-2-1-3-6(5)11-14(12,13)7(9)10/h5-7,11H,1-4H2.
What are the key properties of N-[2-(bromomethyl)cyclopentyl]-1,1-difluoromethanesulfonamide?
N-[2-(bromomethyl)cyclopentyl]-1,1-difluoromethanesulfonamide has a molecular weight of 292.15 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)cyclopentyl]-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 106367461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).