N-(6-bromohexyl)-1,1-difluoromethanesulfonamide

C7H14BrF2NO2S — CID 107848811

IUPACN-(6-bromohexyl)-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(NCCCCCCBr)C(F)F
InChIInChI=1S/C7H14BrF2NO2S/c8-5-3-1-2-4-6-11-14(12,13)7(9)10/h7,11H,1-6H2
InChIKeyLKOFFMMJINTMIV-UHFFFAOYSA-N
MW294.16 g/mol
LogP2.08
Rot. Bonds8

About N-(6-bromohexyl)-1,1-difluoromethanesulfonamide

N-(6-bromohexyl)-1,1-difluoromethanesulfonamide (PubChem CID 107848811) has the molecular formula C7H14BrF2NO2S and a molecular weight of 294.16 g/mol. Its IUPAC name is N-(6-bromohexyl)-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(6-bromohexyl)-1,1-difluoromethanesulfonamide
PubChem CID107848811
Molecular FormulaC7H14BrF2NO2S
Molecular Weight294.16 g/mol
Exact Mass292.99
IUPAC NameN-(6-bromohexyl)-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(NCCCCCCBr)C(F)F
InChIInChI=1S/C7H14BrF2NO2S/c8-5-3-1-2-4-6-11-14(12,13)7(9)10/h7,11H,1-6H2
InChIKeyLKOFFMMJINTMIV-UHFFFAOYSA-N
XLogP2.08
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.16
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(6-bromohexyl)-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-(3-aminopropyl)-1,1-difluoromethanesulfonamide
CID 28606997
N-(5-bromopentyl)methanesulfonamide
CID 107323102
N-(2-aminoethyl)-1,1-difluoromethanesulfonamide
CID 28606994
N-(6-bromohexyl)-1-cyclopropylmethanesulfonamide
CID 107848846
N-(5-bromopentyl)-1-methylsulfonylmethanesulfonamide
CID 107323115
1-bromo-6-(dimethylsulfamoylamino)hexane
CID 107848878
N-(5-bromopentyl)butane-1-sulfonamide
CID 107323070
N-(5-bromopentyl)-2,2-dimethylpropane-1-sulfonamide
CID 107322937
N-ethyl-1,1-difluoromethanesulfonamide
CID 43258972
N-(6-bromohexyl)cyclohexanesulfonamide
CID 107848725
N-(5-bromopentyl)-2-methoxyethanesulfonamide
CID 107323052
N-(4-bromobutyl)-2,2-dimethylpropane-1-sulfonamide
CID 106846746

Frequently Asked Questions

What is the IUPAC name of N-(6-bromohexyl)-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(6-bromohexyl)-1,1-difluoromethanesulfonamide (CID 107848811) is N-(6-bromohexyl)-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(6-bromohexyl)-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(6-bromohexyl)-1,1-difluoromethanesulfonamide is O=S(=O)(NCCCCCCBr)C(F)F.
What is the InChIKey of N-(6-bromohexyl)-1,1-difluoromethanesulfonamide?
The InChIKey is LKOFFMMJINTMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BrF2NO2S/c8-5-3-1-2-4-6-11-14(12,13)7(9)10/h7,11H,1-6H2.
What are the key properties of N-(6-bromohexyl)-1,1-difluoromethanesulfonamide?
N-(6-bromohexyl)-1,1-difluoromethanesulfonamide has a molecular weight of 294.16 g/mol, XLogP of 2.08, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromohexyl)-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 107848811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).