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

C8H14BrF2NO2S — CID 114293739

IUPACN-[1-(bromomethyl)cyclohexyl]-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(NC1(CBr)CCCCC1)C(F)F
InChIInChI=1S/C8H14BrF2NO2S/c9-6-8(4-2-1-3-5-8)12-15(13,14)7(10)11/h7,12H,1-6H2
InChIKeyPSWPEXFJQFYQHQ-UHFFFAOYSA-N
MW306.17 g/mol
LogP2.23
Rot. Bonds4

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

N-[1-(bromomethyl)cyclohexyl]-1,1-difluoromethanesulfonamide (PubChem CID 114293739) has the molecular formula C8H14BrF2NO2S and a molecular weight of 306.17 g/mol. Its IUPAC name is N-[1-(bromomethyl)cyclohexyl]-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-[1-(bromomethyl)cyclohexyl]-1,1-difluoromethanesulfonamide
PubChem CID114293739
Molecular FormulaC8H14BrF2NO2S
Molecular Weight306.17 g/mol
Exact Mass304.99
IUPAC NameN-[1-(bromomethyl)cyclohexyl]-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(NC1(CBr)CCCCC1)C(F)F
InChIInChI=1S/C8H14BrF2NO2S/c9-6-8(4-2-1-3-5-8)12-15(13,14)7(10)11/h7,12H,1-6H2
InChIKeyPSWPEXFJQFYQHQ-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
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)cyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83057948
N-[1-(bromomethyl)-4-methylcyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83058253
N-[2-(bromomethyl)cyclohexyl]-1,1-difluoromethanesulfonamide
CID 106367663
N-[1-(bromomethyl)-3-methylcyclohexyl]-1,1-difluoromethanesulfonamide
CID 114293913
N-[1-(bromomethyl)-4-methylcyclohexyl]-1,1-difluoromethanesulfonamide
CID 114293993
N-[1-(bromomethyl)cyclopentyl]-1,1-difluoromethanesulfonamide
CID 114297097
N-[1-(bromomethyl)cyclohexyl]methanesulfonamide
CID 114293723

Frequently Asked Questions

What is the IUPAC name of N-[1-(bromomethyl)cyclohexyl]-1,1-difluoromethanesulfonamide?
The IUPAC name of N-[1-(bromomethyl)cyclohexyl]-1,1-difluoromethanesulfonamide (CID 114293739) is N-[1-(bromomethyl)cyclohexyl]-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-[1-(bromomethyl)cyclohexyl]-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-[1-(bromomethyl)cyclohexyl]-1,1-difluoromethanesulfonamide is O=S(=O)(NC1(CBr)CCCCC1)C(F)F.
What is the InChIKey of N-[1-(bromomethyl)cyclohexyl]-1,1-difluoromethanesulfonamide?
The InChIKey is PSWPEXFJQFYQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrF2NO2S/c9-6-8(4-2-1-3-5-8)12-15(13,14)7(10)11/h7,12H,1-6H2.
What are the key properties of N-[1-(bromomethyl)cyclohexyl]-1,1-difluoromethanesulfonamide?
N-[1-(bromomethyl)cyclohexyl]-1,1-difluoromethanesulfonamide has a molecular weight of 306.17 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(bromomethyl)cyclohexyl]-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 114293739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).