4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid

C11H15F3N2O4S — CID 60890416

IUPAC4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid
SMILESCC(C)n1cc(S(=O)(=O)N(C)CC(F)(F)F)cc1C(=O)O
InChIInChI=1S/C11H15F3N2O4S/c1-7(2)16-5-8(4-9(16)10(17)18)21(19,20)15(3)6-11(12,13)14/h4-5,7H,6H2,1-3H3,(H,17,18)
InChIKeyUXTPJIOUUDWZFD-UHFFFAOYSA-N
MW328.31 g/mol
LogP1.95
Rot. Bonds5

About 4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid

4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid (PubChem CID 60890416) has the molecular formula C11H15F3N2O4S and a molecular weight of 328.31 g/mol. Its IUPAC name is 4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid
PubChem CID60890416
Molecular FormulaC11H15F3N2O4S
Molecular Weight328.31 g/mol
Exact Mass328.07
IUPAC Name4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid
SMILESCC(C)n1cc(S(=O)(=O)N(C)CC(F)(F)F)cc1C(=O)O
InChIInChI=1S/C11H15F3N2O4S/c1-7(2)16-5-8(4-9(16)10(17)18)21(19,20)15(3)6-11(12,13)14/h4-5,7H,6H2,1-3H3,(H,17,18)
InChIKeyUXTPJIOUUDWZFD-UHFFFAOYSA-N
XLogP1.95
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.31
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]-1-propan-2-ylpyrrole-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 4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid?
The IUPAC name of 4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid (CID 60890416) is 4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid?
The canonical SMILES for 4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid is CC(C)n1cc(S(=O)(=O)N(C)CC(F)(F)F)cc1C(=O)O.
What is the InChIKey of 4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid?
The InChIKey is UXTPJIOUUDWZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O4S/c1-7(2)16-5-8(4-9(16)10(17)18)21(19,20)15(3)6-11(12,13)14/h4-5,7H,6H2,1-3H3,(H,17,18).
What are the key properties of 4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid?
4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid has a molecular weight of 328.31 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid is sourced from PubChem (CID 60890416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).