cyclohexylsulfamoyl(difluoro)methanesulfonic acid

C7H13F2NO5S2 — CID 90005418

IUPACcyclohexylsulfamoyl(difluoro)methanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)S(=O)(=O)NC1CCCCC1
InChIInChI=1S/C7H13F2NO5S2/c8-7(9,17(13,14)15)16(11,12)10-6-4-2-1-3-5-6/h6,10H,1-5H2,(H,13,14,15)
InChIKeyDXCLSZXLHCWZQW-UHFFFAOYSA-N
MW293.31 g/mol
LogP0.68
Rot. Bonds4

About cyclohexylsulfamoyl(difluoro)methanesulfonic acid

cyclohexylsulfamoyl(difluoro)methanesulfonic acid (PubChem CID 90005418) has the molecular formula C7H13F2NO5S2 and a molecular weight of 293.31 g/mol. Its IUPAC name is cyclohexylsulfamoyl(difluoro)methanesulfonic acid.

Molecular Properties

Compound Namecyclohexylsulfamoyl(difluoro)methanesulfonic acid
PubChem CID90005418
Molecular FormulaC7H13F2NO5S2
Molecular Weight293.31 g/mol
Exact Mass293.02
IUPAC Namecyclohexylsulfamoyl(difluoro)methanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)S(=O)(=O)NC1CCCCC1
InChIInChI=1S/C7H13F2NO5S2/c8-7(9,17(13,14)15)16(11,12)10-6-4-2-1-3-5-6/h6,10H,1-5H2,(H,13,14,15)
InChIKeyDXCLSZXLHCWZQW-UHFFFAOYSA-N
XLogP0.68
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohexylsulfamoyl(difluoro)methanesulfonic acid?
The IUPAC name of cyclohexylsulfamoyl(difluoro)methanesulfonic acid (CID 90005418) is cyclohexylsulfamoyl(difluoro)methanesulfonic acid.
What is the SMILES notation for cyclohexylsulfamoyl(difluoro)methanesulfonic acid?
The canonical SMILES for cyclohexylsulfamoyl(difluoro)methanesulfonic acid is O=S(=O)(O)C(F)(F)S(=O)(=O)NC1CCCCC1.
What is the InChIKey of cyclohexylsulfamoyl(difluoro)methanesulfonic acid?
The InChIKey is DXCLSZXLHCWZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO5S2/c8-7(9,17(13,14)15)16(11,12)10-6-4-2-1-3-5-6/h6,10H,1-5H2,(H,13,14,15).
What are the key properties of cyclohexylsulfamoyl(difluoro)methanesulfonic acid?
cyclohexylsulfamoyl(difluoro)methanesulfonic acid has a molecular weight of 293.31 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylsulfamoyl(difluoro)methanesulfonic acid is sourced from PubChem (CID 90005418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).