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

C7H12BrF2NO2S — CID 114297097

IUPACN-[1-(bromomethyl)cyclopentyl]-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(NC1(CBr)CCCC1)C(F)F
InChIInChI=1S/C7H12BrF2NO2S/c8-5-7(3-1-2-4-7)11-14(12,13)6(9)10/h6,11H,1-5H2
InChIKeySCSLALQHODYVIN-UHFFFAOYSA-N
MW292.15 g/mol
LogP1.84
Rot. Bonds4

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

N-[1-(bromomethyl)cyclopentyl]-1,1-difluoromethanesulfonamide (PubChem CID 114297097) has the molecular formula C7H12BrF2NO2S and a molecular weight of 292.15 g/mol. Its IUPAC name is N-[1-(bromomethyl)cyclopentyl]-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-[1-(bromomethyl)cyclopentyl]-1,1-difluoromethanesulfonamide
PubChem CID114297097
Molecular FormulaC7H12BrF2NO2S
Molecular Weight292.15 g/mol
Exact Mass290.97
IUPAC NameN-[1-(bromomethyl)cyclopentyl]-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(NC1(CBr)CCCC1)C(F)F
InChIInChI=1S/C7H12BrF2NO2S/c8-5-7(3-1-2-4-7)11-14(12,13)6(9)10/h6,11H,1-5H2
InChIKeySCSLALQHODYVIN-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
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]-4,4,4-trifluorobutane-1-sulfonamide
CID 83060155
N-[2-(bromomethyl)cyclopentyl]-1,1-difluoromethanesulfonamide
CID 106367461
N-[1-(bromomethyl)cyclohexyl]-1,1-difluoromethanesulfonamide
CID 114293739
N-[1-(difluoromethyl)cyclopentyl]methanesulfonamide
CID 126991400
N-[1-(bromomethyl)cyclopentyl]methanesulfonamide
CID 114297072

Frequently Asked Questions

What is the IUPAC name of N-[1-(bromomethyl)cyclopentyl]-1,1-difluoromethanesulfonamide?
The IUPAC name of N-[1-(bromomethyl)cyclopentyl]-1,1-difluoromethanesulfonamide (CID 114297097) is N-[1-(bromomethyl)cyclopentyl]-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-[1-(bromomethyl)cyclopentyl]-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-[1-(bromomethyl)cyclopentyl]-1,1-difluoromethanesulfonamide is O=S(=O)(NC1(CBr)CCCC1)C(F)F.
What is the InChIKey of N-[1-(bromomethyl)cyclopentyl]-1,1-difluoromethanesulfonamide?
The InChIKey is SCSLALQHODYVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12BrF2NO2S/c8-5-7(3-1-2-4-7)11-14(12,13)6(9)10/h6,11H,1-5H2.
What are the key properties of N-[1-(bromomethyl)cyclopentyl]-1,1-difluoromethanesulfonamide?
N-[1-(bromomethyl)cyclopentyl]-1,1-difluoromethanesulfonamide has a molecular weight of 292.15 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(bromomethyl)cyclopentyl]-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 114297097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).