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

C11H12F3NO3S — CID 69084127

IUPAC2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide
SMILESCC(C)(C(N)=O)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H12F3NO3S/c1-10(2,9(15)16)19(17,18)8-5-3-4-7(6-8)11(12,13)14/h3-6H,1-2H3,(H2,15,16)
InChIKeyPUKOJWKXAXHUEA-UHFFFAOYSA-N
MW295.28 g/mol
LogP1.74
Rot. Bonds3

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

2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide (PubChem CID 69084127) has the molecular formula C11H12F3NO3S and a molecular weight of 295.28 g/mol. Its IUPAC name is 2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide.

Molecular Properties

Compound Name2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide
PubChem CID69084127
Molecular FormulaC11H12F3NO3S
Molecular Weight295.28 g/mol
Exact Mass295.05
IUPAC Name2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide
SMILESCC(C)(C(N)=O)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H12F3NO3S/c1-10(2,9(15)16)19(17,18)8-5-3-4-7(6-8)11(12,13)14/h3-6H,1-2H3,(H2,15,16)
InChIKeyPUKOJWKXAXHUEA-UHFFFAOYSA-N
XLogP1.74
TPSA77.23 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 ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide?
The IUPAC name of 2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide (CID 69084127) is 2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide.
What is the SMILES notation for 2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide?
The canonical SMILES for 2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide is CC(C)(C(N)=O)S(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide?
The InChIKey is PUKOJWKXAXHUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO3S/c1-10(2,9(15)16)19(17,18)8-5-3-4-7(6-8)11(12,13)14/h3-6H,1-2H3,(H2,15,16).
What are the key properties of 2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide?
2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide has a molecular weight of 295.28 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide is sourced from PubChem (CID 69084127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).