2-(2,2-difluoroethylsulfamoyl)propanoic acid

C5H9F2NO4S — CID 115405549

IUPAC2-(2,2-difluoroethylsulfamoyl)propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)NCC(F)F
InChIInChI=1S/C5H9F2NO4S/c1-3(5(9)10)13(11,12)8-2-4(6)7/h3-4,8H,2H2,1H3,(H,9,10)
InChIKeyPPTXHJGKGVKURI-UHFFFAOYSA-N
MW217.19 g/mol
LogP-0.36
Rot. Bonds5

About 2-(2,2-difluoroethylsulfamoyl)propanoic acid

2-(2,2-difluoroethylsulfamoyl)propanoic acid (PubChem CID 115405549) has the molecular formula C5H9F2NO4S and a molecular weight of 217.19 g/mol. Its IUPAC name is 2-(2,2-difluoroethylsulfamoyl)propanoic acid.

Molecular Properties

Compound Name2-(2,2-difluoroethylsulfamoyl)propanoic acid
PubChem CID115405549
Molecular FormulaC5H9F2NO4S
Molecular Weight217.19 g/mol
Exact Mass217.02
IUPAC Name2-(2,2-difluoroethylsulfamoyl)propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)NCC(F)F
InChIInChI=1S/C5H9F2NO4S/c1-3(5(9)10)13(11,12)8-2-4(6)7/h3-4,8H,2H2,1H3,(H,9,10)
InChIKeyPPTXHJGKGVKURI-UHFFFAOYSA-N
XLogP-0.36
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethylsulfamoyl)propanoic acid?
The IUPAC name of 2-(2,2-difluoroethylsulfamoyl)propanoic acid (CID 115405549) is 2-(2,2-difluoroethylsulfamoyl)propanoic acid.
What is the SMILES notation for 2-(2,2-difluoroethylsulfamoyl)propanoic acid?
The canonical SMILES for 2-(2,2-difluoroethylsulfamoyl)propanoic acid is CC(C(=O)O)S(=O)(=O)NCC(F)F.
What is the InChIKey of 2-(2,2-difluoroethylsulfamoyl)propanoic acid?
The InChIKey is PPTXHJGKGVKURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO4S/c1-3(5(9)10)13(11,12)8-2-4(6)7/h3-4,8H,2H2,1H3,(H,9,10).
What are the key properties of 2-(2,2-difluoroethylsulfamoyl)propanoic acid?
2-(2,2-difluoroethylsulfamoyl)propanoic acid has a molecular weight of 217.19 g/mol, XLogP of -0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethylsulfamoyl)propanoic acid is sourced from PubChem (CID 115405549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).