2-methyl-N-[3-(trifluoromethyl)phenyl]sulfonylpropanamide

C11H12F3NO3S — CID 47270009

IUPAC2-methyl-N-[3-(trifluoromethyl)phenyl]sulfonylpropanamide
SMILESCC(C)C(=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H12F3NO3S/c1-7(2)10(16)15-19(17,18)9-5-3-4-8(6-9)11(12,13)14/h3-7H,1-2H3,(H,15,16)
InChIKeyDUFWICXGWOVNSI-UHFFFAOYSA-N
MW295.28 g/mol
LogP2.17
Rot. Bonds3

About 2-methyl-N-[3-(trifluoromethyl)phenyl]sulfonylpropanamide

2-methyl-N-[3-(trifluoromethyl)phenyl]sulfonylpropanamide (PubChem CID 47270009) has the molecular formula C11H12F3NO3S and a molecular weight of 295.28 g/mol. Its IUPAC name is 2-methyl-N-[3-(trifluoromethyl)phenyl]sulfonylpropanamide.

Molecular Properties

Compound Name2-methyl-N-[3-(trifluoromethyl)phenyl]sulfonylpropanamide
PubChem CID47270009
Molecular FormulaC11H12F3NO3S
Molecular Weight295.28 g/mol
Exact Mass295.05
IUPAC Name2-methyl-N-[3-(trifluoromethyl)phenyl]sulfonylpropanamide
SMILESCC(C)C(=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H12F3NO3S/c1-7(2)10(16)15-19(17,18)9-5-3-4-8(6-9)11(12,13)14/h3-7H,1-2H3,(H,15,16)
InChIKeyDUFWICXGWOVNSI-UHFFFAOYSA-N
XLogP2.17
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.28
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-[3-(trifluoromethyl)phenyl]sulfonylpropanamide 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 2-methyl-N-[3-(trifluoromethyl)phenyl]sulfonylpropanamide?
The IUPAC name of 2-methyl-N-[3-(trifluoromethyl)phenyl]sulfonylpropanamide (CID 47270009) is 2-methyl-N-[3-(trifluoromethyl)phenyl]sulfonylpropanamide.
What is the SMILES notation for 2-methyl-N-[3-(trifluoromethyl)phenyl]sulfonylpropanamide?
The canonical SMILES for 2-methyl-N-[3-(trifluoromethyl)phenyl]sulfonylpropanamide is CC(C)C(=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-methyl-N-[3-(trifluoromethyl)phenyl]sulfonylpropanamide?
The InChIKey is DUFWICXGWOVNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO3S/c1-7(2)10(16)15-19(17,18)9-5-3-4-8(6-9)11(12,13)14/h3-7H,1-2H3,(H,15,16).
What are the key properties of 2-methyl-N-[3-(trifluoromethyl)phenyl]sulfonylpropanamide?
2-methyl-N-[3-(trifluoromethyl)phenyl]sulfonylpropanamide has a molecular weight of 295.28 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(trifluoromethyl)phenyl]sulfonylpropanamide is sourced from PubChem (CID 47270009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).