2-methyl-N-[4-(trifluoromethyl)phenyl]sulfonylbutanamide

C12H14F3NO3S — CID 47271224

IUPAC2-methyl-N-[4-(trifluoromethyl)phenyl]sulfonylbutanamide
SMILESCCC(C)C(=O)NS(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H14F3NO3S/c1-3-8(2)11(17)16-20(18,19)10-6-4-9(5-7-10)12(13,14)15/h4-8H,3H2,1-2H3,(H,16,17)
InChIKeyACKHZKCSZIPNMF-UHFFFAOYSA-N
MW309.31 g/mol
LogP2.56
Rot. Bonds4

About 2-methyl-N-[4-(trifluoromethyl)phenyl]sulfonylbutanamide

2-methyl-N-[4-(trifluoromethyl)phenyl]sulfonylbutanamide (PubChem CID 47271224) has the molecular formula C12H14F3NO3S and a molecular weight of 309.31 g/mol. Its IUPAC name is 2-methyl-N-[4-(trifluoromethyl)phenyl]sulfonylbutanamide.

Molecular Properties

Compound Name2-methyl-N-[4-(trifluoromethyl)phenyl]sulfonylbutanamide
PubChem CID47271224
Molecular FormulaC12H14F3NO3S
Molecular Weight309.31 g/mol
Exact Mass309.06
IUPAC Name2-methyl-N-[4-(trifluoromethyl)phenyl]sulfonylbutanamide
SMILESCCC(C)C(=O)NS(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H14F3NO3S/c1-3-8(2)11(17)16-20(18,19)10-6-4-9(5-7-10)12(13,14)15/h4-8H,3H2,1-2H3,(H,16,17)
InChIKeyACKHZKCSZIPNMF-UHFFFAOYSA-N
XLogP2.56
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-[4-(trifluoromethyl)phenyl]sulfonylbutanamide 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-[4-(trifluoromethyl)phenyl]sulfonylbutanamide?
The IUPAC name of 2-methyl-N-[4-(trifluoromethyl)phenyl]sulfonylbutanamide (CID 47271224) is 2-methyl-N-[4-(trifluoromethyl)phenyl]sulfonylbutanamide.
What is the SMILES notation for 2-methyl-N-[4-(trifluoromethyl)phenyl]sulfonylbutanamide?
The canonical SMILES for 2-methyl-N-[4-(trifluoromethyl)phenyl]sulfonylbutanamide is CCC(C)C(=O)NS(=O)(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-methyl-N-[4-(trifluoromethyl)phenyl]sulfonylbutanamide?
The InChIKey is ACKHZKCSZIPNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO3S/c1-3-8(2)11(17)16-20(18,19)10-6-4-9(5-7-10)12(13,14)15/h4-8H,3H2,1-2H3,(H,16,17).
What are the key properties of 2-methyl-N-[4-(trifluoromethyl)phenyl]sulfonylbutanamide?
2-methyl-N-[4-(trifluoromethyl)phenyl]sulfonylbutanamide has a molecular weight of 309.31 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(trifluoromethyl)phenyl]sulfonylbutanamide is sourced from PubChem (CID 47271224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).