3,3,3-trifluoropropylsulfamoyl butanoate

C7H12F3NO4S — CID 174966927

IUPAC3,3,3-trifluoropropylsulfamoyl butanoate
SMILESCCCC(=O)OS(=O)(=O)NCCC(F)(F)F
InChIInChI=1S/C7H12F3NO4S/c1-2-3-6(12)15-16(13,14)11-5-4-7(8,9)10/h11H,2-5H2,1H3
InChIKeyRESBHZWDTNOOQN-UHFFFAOYSA-N
MW263.24 g/mol
LogP1.12
Rot. Bonds6

About 3,3,3-trifluoropropylsulfamoyl butanoate

3,3,3-trifluoropropylsulfamoyl butanoate (PubChem CID 174966927) has the molecular formula C7H12F3NO4S and a molecular weight of 263.24 g/mol. Its IUPAC name is 3,3,3-trifluoropropylsulfamoyl butanoate.

Molecular Properties

Compound Name3,3,3-trifluoropropylsulfamoyl butanoate
PubChem CID174966927
Molecular FormulaC7H12F3NO4S
Molecular Weight263.24 g/mol
Exact Mass263.04
IUPAC Name3,3,3-trifluoropropylsulfamoyl butanoate
SMILESCCCC(=O)OS(=O)(=O)NCCC(F)(F)F
InChIInChI=1S/C7H12F3NO4S/c1-2-3-6(12)15-16(13,14)11-5-4-7(8,9)10/h11H,2-5H2,1H3
InChIKeyRESBHZWDTNOOQN-UHFFFAOYSA-N
XLogP1.12
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,3,3-trifluoropropylsulfamoyl butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoropropylsulfamoyl butanoate?
The IUPAC name of 3,3,3-trifluoropropylsulfamoyl butanoate (CID 174966927) is 3,3,3-trifluoropropylsulfamoyl butanoate.
What is the SMILES notation for 3,3,3-trifluoropropylsulfamoyl butanoate?
The canonical SMILES for 3,3,3-trifluoropropylsulfamoyl butanoate is CCCC(=O)OS(=O)(=O)NCCC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoropropylsulfamoyl butanoate?
The InChIKey is RESBHZWDTNOOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO4S/c1-2-3-6(12)15-16(13,14)11-5-4-7(8,9)10/h11H,2-5H2,1H3.
What are the key properties of 3,3,3-trifluoropropylsulfamoyl butanoate?
3,3,3-trifluoropropylsulfamoyl butanoate has a molecular weight of 263.24 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoropropylsulfamoyl butanoate is sourced from PubChem (CID 174966927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).