N-(4-chlorocyclohexyl)-1,1-difluoromethanesulfonamide

C7H12ClF2NO2S — CID 65033185

IUPACN-(4-chlorocyclohexyl)-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(NC1CCC(Cl)CC1)C(F)F
InChIInChI=1S/C7H12ClF2NO2S/c8-5-1-3-6(4-2-5)11-14(12,13)7(9)10/h5-7,11H,1-4H2
InChIKeyGMYNQHODXRSLSU-UHFFFAOYSA-N
MW247.69 g/mol
LogP1.68
Rot. Bonds3

About N-(4-chlorocyclohexyl)-1,1-difluoromethanesulfonamide

N-(4-chlorocyclohexyl)-1,1-difluoromethanesulfonamide (PubChem CID 65033185) has the molecular formula C7H12ClF2NO2S and a molecular weight of 247.69 g/mol. Its IUPAC name is N-(4-chlorocyclohexyl)-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(4-chlorocyclohexyl)-1,1-difluoromethanesulfonamide
PubChem CID65033185
Molecular FormulaC7H12ClF2NO2S
Molecular Weight247.69 g/mol
Exact Mass247.02
IUPAC NameN-(4-chlorocyclohexyl)-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(NC1CCC(Cl)CC1)C(F)F
InChIInChI=1S/C7H12ClF2NO2S/c8-5-1-3-6(4-2-5)11-14(12,13)7(9)10/h5-7,11H,1-4H2
InChIKeyGMYNQHODXRSLSU-UHFFFAOYSA-N
XLogP1.68
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.69
LogP ≤ 51.68
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-chlorocyclohexyl)-1,1-difluoromethanesulfonamide
CID 65031045
N-(5-chloropentan-2-yl)-1,1-difluoromethanesulfonamide
CID 80291099
N-(4-chlorocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83058666
N-(2-chlorocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059733
N-(4-chloropentan-2-yl)-1,1-difluoromethanesulfonamide
CID 104111257
N-(2-chlorocycloheptyl)-1,1-difluoromethanesulfonamide
CID 104284290
N-(4-chloropentyl)-1,1-difluoromethanesulfonamide
CID 106135494
N-(2-chlorocyclopentyl)-1,1-difluoromethanesulfonamide
CID 106444316
N-(5-chloropentyl)-1,1-difluoromethanesulfonamide
CID 107322748
N-(6-chlorohexyl)-1,1-difluoromethanesulfonamide
CID 107849152
N-(1-chloropentan-3-yl)-1,1-difluoromethanesulfonamide
CID 116271110
N-(2-chloropentyl)-1,1-difluoromethanesulfonamide
CID 116271206

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorocyclohexyl)-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(4-chlorocyclohexyl)-1,1-difluoromethanesulfonamide (CID 65033185) is N-(4-chlorocyclohexyl)-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(4-chlorocyclohexyl)-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(4-chlorocyclohexyl)-1,1-difluoromethanesulfonamide is O=S(=O)(NC1CCC(Cl)CC1)C(F)F.
What is the InChIKey of N-(4-chlorocyclohexyl)-1,1-difluoromethanesulfonamide?
The InChIKey is GMYNQHODXRSLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClF2NO2S/c8-5-1-3-6(4-2-5)11-14(12,13)7(9)10/h5-7,11H,1-4H2.
What are the key properties of N-(4-chlorocyclohexyl)-1,1-difluoromethanesulfonamide?
N-(4-chlorocyclohexyl)-1,1-difluoromethanesulfonamide has a molecular weight of 247.69 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorocyclohexyl)-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 65033185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).