3-(3,3,3-trifluoropropylsulfamoyl)propanoic acid

C6H10F3NO4S — CID 63226429

IUPAC3-(3,3,3-trifluoropropylsulfamoyl)propanoic acid
SMILESO=C(O)CCS(=O)(=O)NCCC(F)(F)F
InChIInChI=1S/C6H10F3NO4S/c7-6(8,9)2-3-10-15(13,14)4-1-5(11)12/h10H,1-4H2,(H,11,12)
InChIKeyDVLCORYIFSFMNU-UHFFFAOYSA-N
MW249.21 g/mol
LogP0.33
Rot. Bonds6

About 3-(3,3,3-trifluoropropylsulfamoyl)propanoic acid

3-(3,3,3-trifluoropropylsulfamoyl)propanoic acid (PubChem CID 63226429) has the molecular formula C6H10F3NO4S and a molecular weight of 249.21 g/mol. Its IUPAC name is 3-(3,3,3-trifluoropropylsulfamoyl)propanoic acid.

Molecular Properties

Compound Name3-(3,3,3-trifluoropropylsulfamoyl)propanoic acid
PubChem CID63226429
Molecular FormulaC6H10F3NO4S
Molecular Weight249.21 g/mol
Exact Mass249.03
IUPAC Name3-(3,3,3-trifluoropropylsulfamoyl)propanoic acid
SMILESO=C(O)CCS(=O)(=O)NCCC(F)(F)F
InChIInChI=1S/C6H10F3NO4S/c7-6(8,9)2-3-10-15(13,14)4-1-5(11)12/h10H,1-4H2,(H,11,12)
InChIKeyDVLCORYIFSFMNU-UHFFFAOYSA-N
XLogP0.33
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.21
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3,3-trifluoropropylsulfamoyl)propanoic acid?
The IUPAC name of 3-(3,3,3-trifluoropropylsulfamoyl)propanoic acid (CID 63226429) is 3-(3,3,3-trifluoropropylsulfamoyl)propanoic acid.
What is the SMILES notation for 3-(3,3,3-trifluoropropylsulfamoyl)propanoic acid?
The canonical SMILES for 3-(3,3,3-trifluoropropylsulfamoyl)propanoic acid is O=C(O)CCS(=O)(=O)NCCC(F)(F)F.
What is the InChIKey of 3-(3,3,3-trifluoropropylsulfamoyl)propanoic acid?
The InChIKey is DVLCORYIFSFMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO4S/c7-6(8,9)2-3-10-15(13,14)4-1-5(11)12/h10H,1-4H2,(H,11,12).
What are the key properties of 3-(3,3,3-trifluoropropylsulfamoyl)propanoic acid?
3-(3,3,3-trifluoropropylsulfamoyl)propanoic acid has a molecular weight of 249.21 g/mol, XLogP of 0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3,3-trifluoropropylsulfamoyl)propanoic acid is sourced from PubChem (CID 63226429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).