4-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid

C8H14F3NO4S — CID 55011516

IUPAC4-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
SMILESCCN(CC(F)(F)F)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C8H14F3NO4S/c1-2-12(6-8(9,10)11)17(15,16)5-3-4-7(13)14/h2-6H2,1H3,(H,13,14)
InChIKeyXRAQMHCQMFIMQW-UHFFFAOYSA-N
MW277.26 g/mol
LogP1.07
Rot. Bonds7

About 4-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid

4-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid (PubChem CID 55011516) has the molecular formula C8H14F3NO4S and a molecular weight of 277.26 g/mol. Its IUPAC name is 4-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
PubChem CID55011516
Molecular FormulaC8H14F3NO4S
Molecular Weight277.26 g/mol
Exact Mass277.06
IUPAC Name4-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
SMILESCCN(CC(F)(F)F)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C8H14F3NO4S/c1-2-12(6-8(9,10)11)17(15,16)5-3-4-7(13)14/h2-6H2,1H3,(H,13,14)
InChIKeyXRAQMHCQMFIMQW-UHFFFAOYSA-N
XLogP1.07
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

4-[Butyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 54876241
4-[2-Methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 54876266
4-[Propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 54876267
4-[2-Hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 54876756
2-[2-Hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 54947606
2-[Butyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 54947756
2-[2-Methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 54947862
Methyl 4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]butanoate
CID 54952486
4-[Cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 55011177
2-[Cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 55011179
Methyl 4-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoate
CID 55011712
3-[2-Methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 55028962

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid?
The IUPAC name of 4-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid (CID 55011516) is 4-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid?
The canonical SMILES for 4-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid is CCN(CC(F)(F)F)S(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid?
The InChIKey is XRAQMHCQMFIMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO4S/c1-2-12(6-8(9,10)11)17(15,16)5-3-4-7(13)14/h2-6H2,1H3,(H,13,14).
What are the key properties of 4-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid?
4-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid has a molecular weight of 277.26 g/mol, XLogP of 1.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid is sourced from PubChem (CID 55011516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).