1,1-difluoro-4-[[propan-2-yl(sulfamoyl)amino]methyl]cyclohexane

C10H20F2N2O2S — CID 167049000

IUPAC1,1-difluoro-4-[[propan-2-yl(sulfamoyl)amino]methyl]cyclohexane
SMILESCC(C)N(CC1CCC(F)(F)CC1)S(N)(=O)=O
InChIInChI=1S/C10H20F2N2O2S/c1-8(2)14(17(13,15)16)7-9-3-5-10(11,12)6-4-9/h8-9H,3-7H2,1-2H3,(H2,13,15,16)
InChIKeyXNYCVTJLKUAZEN-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.73
Rot. Bonds4

About 1,1-difluoro-4-[[propan-2-yl(sulfamoyl)amino]methyl]cyclohexane

1,1-difluoro-4-[[propan-2-yl(sulfamoyl)amino]methyl]cyclohexane (PubChem CID 167049000) has the molecular formula C10H20F2N2O2S and a molecular weight of 270.34 g/mol. Its IUPAC name is 1,1-difluoro-4-[[propan-2-yl(sulfamoyl)amino]methyl]cyclohexane.

Molecular Properties

Compound Name1,1-difluoro-4-[[propan-2-yl(sulfamoyl)amino]methyl]cyclohexane
PubChem CID167049000
Molecular FormulaC10H20F2N2O2S
Molecular Weight270.34 g/mol
Exact Mass270.12
IUPAC Name1,1-difluoro-4-[[propan-2-yl(sulfamoyl)amino]methyl]cyclohexane
SMILESCC(C)N(CC1CCC(F)(F)CC1)S(N)(=O)=O
InChIInChI=1S/C10H20F2N2O2S/c1-8(2)14(17(13,15)16)7-9-3-5-10(11,12)6-4-9/h8-9H,3-7H2,1-2H3,(H2,13,15,16)
InChIKeyXNYCVTJLKUAZEN-UHFFFAOYSA-N
XLogP1.73
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.73
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-[[propan-2-yl(sulfamoyl)amino]methyl]cyclohexane?
The IUPAC name of 1,1-difluoro-4-[[propan-2-yl(sulfamoyl)amino]methyl]cyclohexane (CID 167049000) is 1,1-difluoro-4-[[propan-2-yl(sulfamoyl)amino]methyl]cyclohexane.
What is the SMILES notation for 1,1-difluoro-4-[[propan-2-yl(sulfamoyl)amino]methyl]cyclohexane?
The canonical SMILES for 1,1-difluoro-4-[[propan-2-yl(sulfamoyl)amino]methyl]cyclohexane is CC(C)N(CC1CCC(F)(F)CC1)S(N)(=O)=O.
What is the InChIKey of 1,1-difluoro-4-[[propan-2-yl(sulfamoyl)amino]methyl]cyclohexane?
The InChIKey is XNYCVTJLKUAZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2N2O2S/c1-8(2)14(17(13,15)16)7-9-3-5-10(11,12)6-4-9/h8-9H,3-7H2,1-2H3,(H2,13,15,16).
What are the key properties of 1,1-difluoro-4-[[propan-2-yl(sulfamoyl)amino]methyl]cyclohexane?
1,1-difluoro-4-[[propan-2-yl(sulfamoyl)amino]methyl]cyclohexane has a molecular weight of 270.34 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-4-[[propan-2-yl(sulfamoyl)amino]methyl]cyclohexane is sourced from PubChem (CID 167049000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).