N-(2-bromocyclopentyl)-1,1-difluoromethanesulfonamide

C6H10BrF2NO2S — CID 80661744

IUPACN-(2-bromocyclopentyl)-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(NC1CCCC1Br)C(F)F
InChIInChI=1S/C6H10BrF2NO2S/c7-4-2-1-3-5(4)10-13(11,12)6(8)9/h4-6,10H,1-3H2
InChIKeyABTIYRFDXACATG-UHFFFAOYSA-N
MW278.12 g/mol
LogP1.44
Rot. Bonds3

About N-(2-bromocyclopentyl)-1,1-difluoromethanesulfonamide

N-(2-bromocyclopentyl)-1,1-difluoromethanesulfonamide (PubChem CID 80661744) has the molecular formula C6H10BrF2NO2S and a molecular weight of 278.12 g/mol. Its IUPAC name is N-(2-bromocyclopentyl)-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(2-bromocyclopentyl)-1,1-difluoromethanesulfonamide
PubChem CID80661744
Molecular FormulaC6H10BrF2NO2S
Molecular Weight278.12 g/mol
Exact Mass276.96
IUPAC NameN-(2-bromocyclopentyl)-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(NC1CCCC1Br)C(F)F
InChIInChI=1S/C6H10BrF2NO2S/c7-4-2-1-3-5(4)10-13(11,12)6(8)9/h4-6,10H,1-3H2
InChIKeyABTIYRFDXACATG-UHFFFAOYSA-N
XLogP1.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.12
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclopentyl)-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(2-bromocyclopentyl)-1,1-difluoromethanesulfonamide (CID 80661744) is N-(2-bromocyclopentyl)-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(2-bromocyclopentyl)-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(2-bromocyclopentyl)-1,1-difluoromethanesulfonamide is O=S(=O)(NC1CCCC1Br)C(F)F.
What is the InChIKey of N-(2-bromocyclopentyl)-1,1-difluoromethanesulfonamide?
The InChIKey is ABTIYRFDXACATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10BrF2NO2S/c7-4-2-1-3-5(4)10-13(11,12)6(8)9/h4-6,10H,1-3H2.
What are the key properties of N-(2-bromocyclopentyl)-1,1-difluoromethanesulfonamide?
N-(2-bromocyclopentyl)-1,1-difluoromethanesulfonamide has a molecular weight of 278.12 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclopentyl)-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 80661744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).