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

C9H16BrF2NO2S — CID 114295418

IUPACN-[[2-(bromomethyl)cyclohexyl]methyl]-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(NCC1CCCCC1CBr)C(F)F
InChIInChI=1S/C9H16BrF2NO2S/c10-5-7-3-1-2-4-8(7)6-13-16(14,15)9(11)12/h7-9,13H,1-6H2
InChIKeyAHAOERXKGBWNST-UHFFFAOYSA-N
MW320.20 g/mol
LogP2.33
Rot. Bonds5

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

N-[[2-(bromomethyl)cyclohexyl]methyl]-1,1-difluoromethanesulfonamide (PubChem CID 114295418) has the molecular formula C9H16BrF2NO2S and a molecular weight of 320.20 g/mol. Its IUPAC name is N-[[2-(bromomethyl)cyclohexyl]methyl]-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-[[2-(bromomethyl)cyclohexyl]methyl]-1,1-difluoromethanesulfonamide
PubChem CID114295418
Molecular FormulaC9H16BrF2NO2S
Molecular Weight320.20 g/mol
Exact Mass319.01
IUPAC NameN-[[2-(bromomethyl)cyclohexyl]methyl]-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(NCC1CCCCC1CBr)C(F)F
InChIInChI=1S/C9H16BrF2NO2S/c10-5-7-3-1-2-4-8(7)6-13-16(14,15)9(11)12/h7-9,13H,1-6H2
InChIKeyAHAOERXKGBWNST-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
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-[[2-(aminomethyl)cyclohexyl]methyl]-1,1-difluoromethanesulfonamide
CID 65902268
N-[(2-bromocyclohexyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83058116
N-[[2-(bromomethyl)cyclohexyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83059123
N-[[1-(bromomethyl)cyclohexyl]methyl]-1,1-difluoromethanesulfonamide
CID 103969934
N-[2-(2-bromoethyl)pentyl]-1,1-difluoromethanesulfonamide
CID 106118369
N-[(3-bromocyclohexyl)methyl]-1,1-difluoromethanesulfonamide
CID 106135902
N-[(3-bromocyclohexyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 106135946
N-[(4-bromocyclohexyl)methyl]-1,1-difluoromethanesulfonamide
CID 106136161
N-[(4-bromocyclohexyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 106136190
N-[2-(bromomethyl)cyclohexyl]-1,1-difluoromethanesulfonamide
CID 106367663
N-[[2-(bromomethyl)cyclopentyl]methyl]-1,1-difluoromethanesulfonamide
CID 114295253
N-[(2-bromocyclohexyl)methyl]-1,1-difluoromethanesulfonamide
CID 114297517

Frequently Asked Questions

What is the IUPAC name of N-[[2-(bromomethyl)cyclohexyl]methyl]-1,1-difluoromethanesulfonamide?
The IUPAC name of N-[[2-(bromomethyl)cyclohexyl]methyl]-1,1-difluoromethanesulfonamide (CID 114295418) is N-[[2-(bromomethyl)cyclohexyl]methyl]-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-[[2-(bromomethyl)cyclohexyl]methyl]-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-[[2-(bromomethyl)cyclohexyl]methyl]-1,1-difluoromethanesulfonamide is O=S(=O)(NCC1CCCCC1CBr)C(F)F.
What is the InChIKey of N-[[2-(bromomethyl)cyclohexyl]methyl]-1,1-difluoromethanesulfonamide?
The InChIKey is AHAOERXKGBWNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrF2NO2S/c10-5-7-3-1-2-4-8(7)6-13-16(14,15)9(11)12/h7-9,13H,1-6H2.
What are the key properties of N-[[2-(bromomethyl)cyclohexyl]methyl]-1,1-difluoromethanesulfonamide?
N-[[2-(bromomethyl)cyclohexyl]methyl]-1,1-difluoromethanesulfonamide has a molecular weight of 320.20 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(bromomethyl)cyclohexyl]methyl]-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 114295418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).