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

C8H14BrF2NO2S — CID 106367663

IUPACN-[2-(bromomethyl)cyclohexyl]-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(NC1CCCCC1CBr)C(F)F
InChIInChI=1S/C8H14BrF2NO2S/c9-5-6-3-1-2-4-7(6)12-15(13,14)8(10)11/h6-8,12H,1-5H2
InChIKeyWAGVZNHETKNTMX-UHFFFAOYSA-N
MW306.17 g/mol
LogP2.08
Rot. Bonds4

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

N-[2-(bromomethyl)cyclohexyl]-1,1-difluoromethanesulfonamide (PubChem CID 106367663) has the molecular formula C8H14BrF2NO2S and a molecular weight of 306.17 g/mol. Its IUPAC name is N-[2-(bromomethyl)cyclohexyl]-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)cyclohexyl]-1,1-difluoromethanesulfonamide
PubChem CID106367663
Molecular FormulaC8H14BrF2NO2S
Molecular Weight306.17 g/mol
Exact Mass304.99
IUPAC NameN-[2-(bromomethyl)cyclohexyl]-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(NC1CCCCC1CBr)C(F)F
InChIInChI=1S/C8H14BrF2NO2S/c9-5-6-3-1-2-4-7(6)12-15(13,14)8(10)11/h6-8,12H,1-5H2
InChIKeyWAGVZNHETKNTMX-UHFFFAOYSA-N
XLogP2.08
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.17
LogP ≤ 52.08
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-[(1S,2R)-2-methylcyclohexyl]methanesulfonamide
CID 71026178
1,1,1-trifluoro-N-(2-methylcyclohexyl)methanesulfonamide
CID 14965465
N-[3-(trifluoromethyl)cyclohexyl]methanesulfonamide
CID 53514697
N-[2-(trifluoromethyl)cyclohexyl]methanesulfonamide
CID 60722094
N-[4-(trifluoromethyl)cyclohexyl]methanesulfonamide
CID 60722151
1-chloro-N-[2-(trifluoromethyl)cyclohexyl]methanesulfonamide
CID 63665589
N-[(2-aminocyclohexyl)methyl]-1,1-difluoromethanesulfonamide
CID 64929044
N-[2-(aminomethyl)cyclohexyl]-1,1-difluoromethanesulfonamide
CID 65849865
N-[2-(aminomethyl)cyclohexyl]-1,1,1-trifluoromethanesulfonamide
CID 65851416
1-bromo-N-[2-(trifluoromethyl)cyclohexyl]methanesulfonamide
CID 83092336
1-bromo-N-[4-(trifluoromethyl)cyclohexyl]methanesulfonamide
CID 83092430
1-bromo-N-[3-(trifluoromethyl)cyclohexyl]methanesulfonamide
CID 83093754

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)cyclohexyl]-1,1-difluoromethanesulfonamide?
The IUPAC name of N-[2-(bromomethyl)cyclohexyl]-1,1-difluoromethanesulfonamide (CID 106367663) is N-[2-(bromomethyl)cyclohexyl]-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-[2-(bromomethyl)cyclohexyl]-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-[2-(bromomethyl)cyclohexyl]-1,1-difluoromethanesulfonamide is O=S(=O)(NC1CCCCC1CBr)C(F)F.
What is the InChIKey of N-[2-(bromomethyl)cyclohexyl]-1,1-difluoromethanesulfonamide?
The InChIKey is WAGVZNHETKNTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrF2NO2S/c9-5-6-3-1-2-4-7(6)12-15(13,14)8(10)11/h6-8,12H,1-5H2.
What are the key properties of N-[2-(bromomethyl)cyclohexyl]-1,1-difluoromethanesulfonamide?
N-[2-(bromomethyl)cyclohexyl]-1,1-difluoromethanesulfonamide has a molecular weight of 306.17 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)cyclohexyl]-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 106367663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).