3-[methyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid

C8H8F3NO4S2 — CID 60762907

IUPAC3-[methyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCN(CC(F)(F)F)S(=O)(=O)c1ccsc1C(=O)O
InChIInChI=1S/C8H8F3NO4S2/c1-12(4-8(9,10)11)18(15,16)5-2-3-17-6(5)7(13)14/h2-3H,4H2,1H3,(H,13,14)
InChIKeyKDCIPCNYRNDWEG-UHFFFAOYSA-N
MW303.28 g/mol
LogP1.63
Rot. Bonds4

About 3-[methyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid

3-[methyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 60762907) has the molecular formula C8H8F3NO4S2 and a molecular weight of 303.28 g/mol. Its IUPAC name is 3-[methyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[methyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID60762907
Molecular FormulaC8H8F3NO4S2
Molecular Weight303.28 g/mol
Exact Mass302.98
IUPAC Name3-[methyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCN(CC(F)(F)F)S(=O)(=O)c1ccsc1C(=O)O
InChIInChI=1S/C8H8F3NO4S2/c1-12(4-8(9,10)11)18(15,16)5-2-3-17-6(5)7(13)14/h2-3H,4H2,1H3,(H,13,14)
InChIKeyKDCIPCNYRNDWEG-UHFFFAOYSA-N
XLogP1.63
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[methyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid 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-[methyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[methyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid (CID 60762907) is 3-[methyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[methyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[methyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid is CN(CC(F)(F)F)S(=O)(=O)c1ccsc1C(=O)O.
What is the InChIKey of 3-[methyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is KDCIPCNYRNDWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO4S2/c1-12(4-8(9,10)11)18(15,16)5-2-3-17-6(5)7(13)14/h2-3H,4H2,1H3,(H,13,14).
What are the key properties of 3-[methyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid?
3-[methyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 303.28 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 60762907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).