N-(1-cyano-4-methylcyclohexyl)-1,1-difluoromethanesulfonamide

C9H14F2N2O2S — CID 61124877

IUPACN-(1-cyano-4-methylcyclohexyl)-1,1-difluoromethanesulfonamide
SMILESCC1CCC(C#N)(NS(=O)(=O)C(F)F)CC1
InChIInChI=1S/C9H14F2N2O2S/c1-7-2-4-9(6-12,5-3-7)13-16(14,15)8(10)11/h7-8,13H,2-5H2,1H3
InChIKeyWHFXMKUEMIARBZ-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.60
Rot. Bonds3

About N-(1-cyano-4-methylcyclohexyl)-1,1-difluoromethanesulfonamide

N-(1-cyano-4-methylcyclohexyl)-1,1-difluoromethanesulfonamide (PubChem CID 61124877) has the molecular formula C9H14F2N2O2S and a molecular weight of 252.29 g/mol. Its IUPAC name is N-(1-cyano-4-methylcyclohexyl)-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(1-cyano-4-methylcyclohexyl)-1,1-difluoromethanesulfonamide
PubChem CID61124877
Molecular FormulaC9H14F2N2O2S
Molecular Weight252.29 g/mol
Exact Mass252.07
IUPAC NameN-(1-cyano-4-methylcyclohexyl)-1,1-difluoromethanesulfonamide
SMILESCC1CCC(C#N)(NS(=O)(=O)C(F)F)CC1
InChIInChI=1S/C9H14F2N2O2S/c1-7-2-4-9(6-12,5-3-7)13-16(14,15)8(10)11/h7-8,13H,2-5H2,1H3
InChIKeyWHFXMKUEMIARBZ-UHFFFAOYSA-N
XLogP1.60
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,4-dimethylcyclohexyl)-1,1,1-trifluoromethanesulfonamide
CID 177855033
N-(1-cyanocyclohexyl)methanesulfonamide
CID 60681350
N-(1-cyanocyclohexyl)-1,1-difluoromethanesulfonamide
CID 55138337
N-(1-cyano-4-ethylcyclohexyl)-1,1-difluoromethanesulfonamide
CID 61123890
N-(1-cyano-4-ethylcyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83048028
N-(1-cyanocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059396
N-(1-cyano-4-methylcyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059551
4-Methyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carbonitrile
CID 114807700
N-(1-cyano-4-methylcyclohexyl)ethanesulfonamide
CID 55138338
N-(1-cyano-4-methylcyclohexyl)-2-methylpropane-2-sulfonamide
CID 55233411
N-(1-cyano-4-methylcyclohexyl)propane-2-sulfonamide
CID 61122090
N-(1-cyano-4-ethylcyclohexyl)methanesulfonamide
CID 61122295

Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-4-methylcyclohexyl)-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(1-cyano-4-methylcyclohexyl)-1,1-difluoromethanesulfonamide (CID 61124877) is N-(1-cyano-4-methylcyclohexyl)-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(1-cyano-4-methylcyclohexyl)-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(1-cyano-4-methylcyclohexyl)-1,1-difluoromethanesulfonamide is CC1CCC(C#N)(NS(=O)(=O)C(F)F)CC1.
What is the InChIKey of N-(1-cyano-4-methylcyclohexyl)-1,1-difluoromethanesulfonamide?
The InChIKey is WHFXMKUEMIARBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2O2S/c1-7-2-4-9(6-12,5-3-7)13-16(14,15)8(10)11/h7-8,13H,2-5H2,1H3.
What are the key properties of N-(1-cyano-4-methylcyclohexyl)-1,1-difluoromethanesulfonamide?
N-(1-cyano-4-methylcyclohexyl)-1,1-difluoromethanesulfonamide has a molecular weight of 252.29 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-4-methylcyclohexyl)-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 61124877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).