N-(5-bromopentan-2-yl)-1,1-difluoromethanesulfonamide

C6H12BrF2NO2S — CID 114294890

IUPACN-(5-bromopentan-2-yl)-1,1-difluoromethanesulfonamide
SMILESCC(CCCBr)NS(=O)(=O)C(F)F
InChIInChI=1S/C6H12BrF2NO2S/c1-5(3-2-4-7)10-13(11,12)6(8)9/h5-6,10H,2-4H2,1H3
InChIKeyOMYJLEUHDLKULD-UHFFFAOYSA-N
MW280.13 g/mol
LogP1.69
Rot. Bonds6

About N-(5-bromopentan-2-yl)-1,1-difluoromethanesulfonamide

N-(5-bromopentan-2-yl)-1,1-difluoromethanesulfonamide (PubChem CID 114294890) has the molecular formula C6H12BrF2NO2S and a molecular weight of 280.13 g/mol. Its IUPAC name is N-(5-bromopentan-2-yl)-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(5-bromopentan-2-yl)-1,1-difluoromethanesulfonamide
PubChem CID114294890
Molecular FormulaC6H12BrF2NO2S
Molecular Weight280.13 g/mol
Exact Mass278.97
IUPAC NameN-(5-bromopentan-2-yl)-1,1-difluoromethanesulfonamide
SMILESCC(CCCBr)NS(=O)(=O)C(F)F
InChIInChI=1S/C6H12BrF2NO2S/c1-5(3-2-4-7)10-13(11,12)6(8)9/h5-6,10H,2-4H2,1H3
InChIKeyOMYJLEUHDLKULD-UHFFFAOYSA-N
XLogP1.69
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.13
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

1,1,1-trifluoro-N-pentan-2-ylmethanesulfonamide
CID 87844438
N-(3-bromopropyl)-1,1-difluoromethanesulfonamide
CID 43133757
N-(2-bromocyclopentyl)-1,1-difluoromethanesulfonamide
CID 80661744
N-(1-bromobutan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83058402
N-(1-bromopropan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83058543
N-(5-bromopentan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83058815
1-bromo-N-(4,4,4-trifluorobutyl)methanesulfonamide
CID 83086503
1-bromo-N-(5,5,5-trifluoropentyl)methanesulfonamide
CID 83086600
N-(4-bromobutan-2-yl)-1,1-difluoromethanesulfonamide
CID 83179409
N-(4-bromobutan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83180717
N-(4-bromopentan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 104111139
N-(4-bromopentan-2-yl)-1,1-difluoromethanesulfonamide
CID 104111157

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopentan-2-yl)-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(5-bromopentan-2-yl)-1,1-difluoromethanesulfonamide (CID 114294890) is N-(5-bromopentan-2-yl)-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(5-bromopentan-2-yl)-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(5-bromopentan-2-yl)-1,1-difluoromethanesulfonamide is CC(CCCBr)NS(=O)(=O)C(F)F.
What is the InChIKey of N-(5-bromopentan-2-yl)-1,1-difluoromethanesulfonamide?
The InChIKey is OMYJLEUHDLKULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12BrF2NO2S/c1-5(3-2-4-7)10-13(11,12)6(8)9/h5-6,10H,2-4H2,1H3.
What are the key properties of N-(5-bromopentan-2-yl)-1,1-difluoromethanesulfonamide?
N-(5-bromopentan-2-yl)-1,1-difluoromethanesulfonamide has a molecular weight of 280.13 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopentan-2-yl)-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 114294890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).