1,1-difluoro-2-[2-hydroxyethyl(2-methoxyethylsulfamoyl)amino]ethane

C7H16F2N2O4S — CID 107483670

IUPAC1,1-difluoro-2-[2-hydroxyethyl(2-methoxyethylsulfamoyl)amino]ethane
SMILESCOCCNS(=O)(=O)N(CCO)CC(F)F
InChIInChI=1S/C7H16F2N2O4S/c1-15-5-2-10-16(13,14)11(3-4-12)6-7(8)9/h7,10,12H,2-6H2,1H3
InChIKeyWUILIMKQBNBUOI-UHFFFAOYSA-N
MW262.28 g/mol
LogP-0.97
Rot. Bonds9

About 1,1-difluoro-2-[2-hydroxyethyl(2-methoxyethylsulfamoyl)amino]ethane

1,1-difluoro-2-[2-hydroxyethyl(2-methoxyethylsulfamoyl)amino]ethane (PubChem CID 107483670) has the molecular formula C7H16F2N2O4S and a molecular weight of 262.28 g/mol. Its IUPAC name is 1,1-difluoro-2-[2-hydroxyethyl(2-methoxyethylsulfamoyl)amino]ethane.

Molecular Properties

Compound Name1,1-difluoro-2-[2-hydroxyethyl(2-methoxyethylsulfamoyl)amino]ethane
PubChem CID107483670
Molecular FormulaC7H16F2N2O4S
Molecular Weight262.28 g/mol
Exact Mass262.08
IUPAC Name1,1-difluoro-2-[2-hydroxyethyl(2-methoxyethylsulfamoyl)amino]ethane
SMILESCOCCNS(=O)(=O)N(CCO)CC(F)F
InChIInChI=1S/C7H16F2N2O4S/c1-15-5-2-10-16(13,14)11(3-4-12)6-7(8)9/h7,10,12H,2-6H2,1H3
InChIKeyWUILIMKQBNBUOI-UHFFFAOYSA-N
XLogP-0.97
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2-[2-hydroxyethyl(2-methoxyethylsulfamoyl)amino]ethane?
The IUPAC name of 1,1-difluoro-2-[2-hydroxyethyl(2-methoxyethylsulfamoyl)amino]ethane (CID 107483670) is 1,1-difluoro-2-[2-hydroxyethyl(2-methoxyethylsulfamoyl)amino]ethane.
What is the SMILES notation for 1,1-difluoro-2-[2-hydroxyethyl(2-methoxyethylsulfamoyl)amino]ethane?
The canonical SMILES for 1,1-difluoro-2-[2-hydroxyethyl(2-methoxyethylsulfamoyl)amino]ethane is COCCNS(=O)(=O)N(CCO)CC(F)F.
What is the InChIKey of 1,1-difluoro-2-[2-hydroxyethyl(2-methoxyethylsulfamoyl)amino]ethane?
The InChIKey is WUILIMKQBNBUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16F2N2O4S/c1-15-5-2-10-16(13,14)11(3-4-12)6-7(8)9/h7,10,12H,2-6H2,1H3.
What are the key properties of 1,1-difluoro-2-[2-hydroxyethyl(2-methoxyethylsulfamoyl)amino]ethane?
1,1-difluoro-2-[2-hydroxyethyl(2-methoxyethylsulfamoyl)amino]ethane has a molecular weight of 262.28 g/mol, XLogP of -0.97, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2-[2-hydroxyethyl(2-methoxyethylsulfamoyl)amino]ethane is sourced from PubChem (CID 107483670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).