N-(2-chlorocyclohexyl)-1,1-difluoromethanesulfonamide

C7H12ClF2NO2S — CID 65031045

IUPACN-(2-chlorocyclohexyl)-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(NC1CCCCC1Cl)C(F)F
InChIInChI=1S/C7H12ClF2NO2S/c8-5-3-1-2-4-6(5)11-14(12,13)7(9)10/h5-7,11H,1-4H2
InChIKeyMFGABEYAORADIE-UHFFFAOYSA-N
MW247.69 g/mol
LogP1.68
Rot. Bonds3

About N-(2-chlorocyclohexyl)-1,1-difluoromethanesulfonamide

N-(2-chlorocyclohexyl)-1,1-difluoromethanesulfonamide (PubChem CID 65031045) has the molecular formula C7H12ClF2NO2S and a molecular weight of 247.69 g/mol. Its IUPAC name is N-(2-chlorocyclohexyl)-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(2-chlorocyclohexyl)-1,1-difluoromethanesulfonamide
PubChem CID65031045
Molecular FormulaC7H12ClF2NO2S
Molecular Weight247.69 g/mol
Exact Mass247.02
IUPAC NameN-(2-chlorocyclohexyl)-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(NC1CCCCC1Cl)C(F)F
InChIInChI=1S/C7H12ClF2NO2S/c8-5-3-1-2-4-6(5)11-14(12,13)7(9)10/h5-7,11H,1-4H2
InChIKeyMFGABEYAORADIE-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)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107329314
N-(2-chlorocyclohexyl)-2,5-difluorobenzenesulfonamide
CID 65032633
N-(2-chlorocycloheptyl)-3-fluorobenzenesulfonamide
CID 113395199
N-(2-chlorocyclohexyl)-2,2,3,3-tetrafluoropropanamide
CID 106441937
3,4-dichloro-N-(2-chlorocyclohexyl)benzenesulfonamide
CID 65030631
1,1-difluoro-N-(4-methylpyrrolidin-3-yl)methanesulfonamide
CID 104826070
N-(2-chlorocyclopentyl)cycloheptanamine
CID 127002051
methyl N-[(2-chlorocyclopentyl)sulfamoyl]carbamate
CID 106444350
N-[2-(chloromethyl)cyclohexyl]propane-2-sulfonamide
CID 106367782
1,1-difluoro-N-[(3R)-pyrrolidin-3-yl]methanesulfonamide
CID 79685509
N-(2-chlorocyclohexyl)-3-fluoro-2-nitrobenzenesulfonamide
CID 106441960
2-chloro-N-(3-ethylsulfonylpropyl)cyclohexan-1-amine
CID 65096824

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorocyclohexyl)-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(2-chlorocyclohexyl)-1,1-difluoromethanesulfonamide (CID 65031045) is N-(2-chlorocyclohexyl)-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(2-chlorocyclohexyl)-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(2-chlorocyclohexyl)-1,1-difluoromethanesulfonamide is O=S(=O)(NC1CCCCC1Cl)C(F)F.
What is the InChIKey of N-(2-chlorocyclohexyl)-1,1-difluoromethanesulfonamide?
The InChIKey is MFGABEYAORADIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClF2NO2S/c8-5-3-1-2-4-6(5)11-14(12,13)7(9)10/h5-7,11H,1-4H2.
What are the key properties of N-(2-chlorocyclohexyl)-1,1-difluoromethanesulfonamide?
N-(2-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-(2-chlorocyclohexyl)-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 65031045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).