4-(3,3,3-trifluoropropylsulfamoyl)butanoic acid

C7H12F3NO4S — CID 63226428

IUPAC4-(3,3,3-trifluoropropylsulfamoyl)butanoic acid
SMILESO=C(O)CCCS(=O)(=O)NCCC(F)(F)F
InChIInChI=1S/C7H12F3NO4S/c8-7(9,10)3-4-11-16(14,15)5-1-2-6(12)13/h11H,1-5H2,(H,12,13)
InChIKeyKWWXLXQFCPHKCJ-UHFFFAOYSA-N
MW263.24 g/mol
LogP0.72
Rot. Bonds7

About 4-(3,3,3-trifluoropropylsulfamoyl)butanoic acid

4-(3,3,3-trifluoropropylsulfamoyl)butanoic acid (PubChem CID 63226428) has the molecular formula C7H12F3NO4S and a molecular weight of 263.24 g/mol. Its IUPAC name is 4-(3,3,3-trifluoropropylsulfamoyl)butanoic acid.

Molecular Properties

Compound Name4-(3,3,3-trifluoropropylsulfamoyl)butanoic acid
PubChem CID63226428
Molecular FormulaC7H12F3NO4S
Molecular Weight263.24 g/mol
Exact Mass263.04
IUPAC Name4-(3,3,3-trifluoropropylsulfamoyl)butanoic acid
SMILESO=C(O)CCCS(=O)(=O)NCCC(F)(F)F
InChIInChI=1S/C7H12F3NO4S/c8-7(9,10)3-4-11-16(14,15)5-1-2-6(12)13/h11H,1-5H2,(H,12,13)
InChIKeyKWWXLXQFCPHKCJ-UHFFFAOYSA-N
XLogP0.72
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3,3-trifluoropropylsulfamoyl)butanoic acid?
The IUPAC name of 4-(3,3,3-trifluoropropylsulfamoyl)butanoic acid (CID 63226428) is 4-(3,3,3-trifluoropropylsulfamoyl)butanoic acid.
What is the SMILES notation for 4-(3,3,3-trifluoropropylsulfamoyl)butanoic acid?
The canonical SMILES for 4-(3,3,3-trifluoropropylsulfamoyl)butanoic acid is O=C(O)CCCS(=O)(=O)NCCC(F)(F)F.
What is the InChIKey of 4-(3,3,3-trifluoropropylsulfamoyl)butanoic acid?
The InChIKey is KWWXLXQFCPHKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO4S/c8-7(9,10)3-4-11-16(14,15)5-1-2-6(12)13/h11H,1-5H2,(H,12,13).
What are the key properties of 4-(3,3,3-trifluoropropylsulfamoyl)butanoic acid?
4-(3,3,3-trifluoropropylsulfamoyl)butanoic acid has a molecular weight of 263.24 g/mol, XLogP of 0.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3,3-trifluoropropylsulfamoyl)butanoic acid is sourced from PubChem (CID 63226428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).