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

C9H16BrF2NO2S — CID 103969934

IUPACN-[[1-(bromomethyl)cyclohexyl]methyl]-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(NCC1(CBr)CCCCC1)C(F)F
InChIInChI=1S/C9H16BrF2NO2S/c10-6-9(4-2-1-3-5-9)7-13-16(14,15)8(11)12/h8,13H,1-7H2
InChIKeySVVLEZGGLBXQSD-UHFFFAOYSA-N
MW320.20 g/mol
LogP2.47
Rot. Bonds5

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

N-[[1-(bromomethyl)cyclohexyl]methyl]-1,1-difluoromethanesulfonamide (PubChem CID 103969934) has the molecular formula C9H16BrF2NO2S and a molecular weight of 320.20 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclohexyl]methyl]-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclohexyl]methyl]-1,1-difluoromethanesulfonamide
PubChem CID103969934
Molecular FormulaC9H16BrF2NO2S
Molecular Weight320.20 g/mol
Exact Mass319.01
IUPAC NameN-[[1-(bromomethyl)cyclohexyl]methyl]-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(NCC1(CBr)CCCCC1)C(F)F
InChIInChI=1S/C9H16BrF2NO2S/c10-6-9(4-2-1-3-5-9)7-13-16(14,15)8(11)12/h8,13H,1-7H2
InChIKeySVVLEZGGLBXQSD-UHFFFAOYSA-N
XLogP2.47
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.20
LogP ≤ 52.47
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]methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 103969973
N-[[1-(aminomethyl)cyclohexyl]methyl]-1,1-difluoromethanesulfonamide
CID 103970359
N-[(3-bromocyclohexyl)methyl]-1,1-difluoromethanesulfonamide
CID 106135902
N-[(4-bromocyclohexyl)methyl]-1,1-difluoromethanesulfonamide
CID 106136161
N-(5-bromo-2,2-dimethylpentyl)-1,1-difluoromethanesulfonamide
CID 106146432
N-[[2-(bromomethyl)cyclohexyl]methyl]-1,1-difluoromethanesulfonamide
CID 114295418
N-[(2-bromocyclohexyl)methyl]-1,1-difluoromethanesulfonamide
CID 114297517
N-[[1-(bromomethyl)cyclopentyl]methyl]-1,1-difluoromethanesulfonamide
CID 115365110
N-[[1-(bromomethyl)cyclohexyl]methyl]-3,3-dimethylbutane-1-sulfonamide
CID 103521816
N-[[1-(bromomethyl)cyclohexyl]methyl]methanesulfonamide
CID 103969928
N-[[1-(bromomethyl)cyclohexyl]methyl]propane-1-sulfonamide
CID 103969941
N-[[1-(bromomethyl)cyclohexyl]methyl]ethanesulfonamide
CID 103969950

Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cyclohexyl]methyl]-1,1-difluoromethanesulfonamide?
The IUPAC name of N-[[1-(bromomethyl)cyclohexyl]methyl]-1,1-difluoromethanesulfonamide (CID 103969934) is N-[[1-(bromomethyl)cyclohexyl]methyl]-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-[[1-(bromomethyl)cyclohexyl]methyl]-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-[[1-(bromomethyl)cyclohexyl]methyl]-1,1-difluoromethanesulfonamide is O=S(=O)(NCC1(CBr)CCCCC1)C(F)F.
What is the InChIKey of N-[[1-(bromomethyl)cyclohexyl]methyl]-1,1-difluoromethanesulfonamide?
The InChIKey is SVVLEZGGLBXQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrF2NO2S/c10-6-9(4-2-1-3-5-9)7-13-16(14,15)8(11)12/h8,13H,1-7H2.
What are the key properties of N-[[1-(bromomethyl)cyclohexyl]methyl]-1,1-difluoromethanesulfonamide?
N-[[1-(bromomethyl)cyclohexyl]methyl]-1,1-difluoromethanesulfonamide has a molecular weight of 320.20 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cyclohexyl]methyl]-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 103969934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).