1,1-difluoro-4-[[methyl(sulfamoyl)amino]methyl]cyclohexane

C8H16F2N2O2S — CID 167049417

IUPAC1,1-difluoro-4-[[methyl(sulfamoyl)amino]methyl]cyclohexane
SMILESCN(CC1CCC(F)(F)CC1)S(N)(=O)=O
InChIInChI=1S/C8H16F2N2O2S/c1-12(15(11,13)14)6-7-2-4-8(9,10)5-3-7/h7H,2-6H2,1H3,(H2,11,13,14)
InChIKeyDUXJUOLXDVHQGV-UHFFFAOYSA-N
MW242.29 g/mol
LogP0.95
Rot. Bonds3

About 1,1-difluoro-4-[[methyl(sulfamoyl)amino]methyl]cyclohexane

1,1-difluoro-4-[[methyl(sulfamoyl)amino]methyl]cyclohexane (PubChem CID 167049417) has the molecular formula C8H16F2N2O2S and a molecular weight of 242.29 g/mol. Its IUPAC name is 1,1-difluoro-4-[[methyl(sulfamoyl)amino]methyl]cyclohexane.

Molecular Properties

Compound Name1,1-difluoro-4-[[methyl(sulfamoyl)amino]methyl]cyclohexane
PubChem CID167049417
Molecular FormulaC8H16F2N2O2S
Molecular Weight242.29 g/mol
Exact Mass242.09
IUPAC Name1,1-difluoro-4-[[methyl(sulfamoyl)amino]methyl]cyclohexane
SMILESCN(CC1CCC(F)(F)CC1)S(N)(=O)=O
InChIInChI=1S/C8H16F2N2O2S/c1-12(15(11,13)14)6-7-2-4-8(9,10)5-3-7/h7H,2-6H2,1H3,(H2,11,13,14)
InChIKeyDUXJUOLXDVHQGV-UHFFFAOYSA-N
XLogP0.95
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-4-[[methyl(sulfamoyl)amino]methyl]cyclohexane?
The IUPAC name of 1,1-difluoro-4-[[methyl(sulfamoyl)amino]methyl]cyclohexane (CID 167049417) is 1,1-difluoro-4-[[methyl(sulfamoyl)amino]methyl]cyclohexane.
What is the SMILES notation for 1,1-difluoro-4-[[methyl(sulfamoyl)amino]methyl]cyclohexane?
The canonical SMILES for 1,1-difluoro-4-[[methyl(sulfamoyl)amino]methyl]cyclohexane is CN(CC1CCC(F)(F)CC1)S(N)(=O)=O.
What is the InChIKey of 1,1-difluoro-4-[[methyl(sulfamoyl)amino]methyl]cyclohexane?
The InChIKey is DUXJUOLXDVHQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2O2S/c1-12(15(11,13)14)6-7-2-4-8(9,10)5-3-7/h7H,2-6H2,1H3,(H2,11,13,14).
What are the key properties of 1,1-difluoro-4-[[methyl(sulfamoyl)amino]methyl]cyclohexane?
1,1-difluoro-4-[[methyl(sulfamoyl)amino]methyl]cyclohexane has a molecular weight of 242.29 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-4-[[methyl(sulfamoyl)amino]methyl]cyclohexane is sourced from PubChem (CID 167049417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).