N-[3-(trifluoromethyl)phenyl]sulfonylpentanamide

C12H14F3NO3S — CID 47270010

IUPACN-[3-(trifluoromethyl)phenyl]sulfonylpentanamide
SMILESCCCCC(=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H14F3NO3S/c1-2-3-7-11(17)16-20(18,19)10-6-4-5-9(8-10)12(13,14)15/h4-6,8H,2-3,7H2,1H3,(H,16,17)
InChIKeyODOUTLKCLFZADA-UHFFFAOYSA-N
MW309.31 g/mol
LogP2.70
Rot. Bonds5

About N-[3-(trifluoromethyl)phenyl]sulfonylpentanamide

N-[3-(trifluoromethyl)phenyl]sulfonylpentanamide (PubChem CID 47270010) has the molecular formula C12H14F3NO3S and a molecular weight of 309.31 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)phenyl]sulfonylpentanamide.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)phenyl]sulfonylpentanamide
PubChem CID47270010
Molecular FormulaC12H14F3NO3S
Molecular Weight309.31 g/mol
Exact Mass309.06
IUPAC NameN-[3-(trifluoromethyl)phenyl]sulfonylpentanamide
SMILESCCCCC(=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H14F3NO3S/c1-2-3-7-11(17)16-20(18,19)10-6-4-5-9(8-10)12(13,14)15/h4-6,8H,2-3,7H2,1H3,(H,16,17)
InChIKeyODOUTLKCLFZADA-UHFFFAOYSA-N
XLogP2.70
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-(trifluoromethyl)phenyl]sulfonylpentanamide 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 N-[3-(trifluoromethyl)phenyl]sulfonylpentanamide?
The IUPAC name of N-[3-(trifluoromethyl)phenyl]sulfonylpentanamide (CID 47270010) is N-[3-(trifluoromethyl)phenyl]sulfonylpentanamide.
What is the SMILES notation for N-[3-(trifluoromethyl)phenyl]sulfonylpentanamide?
The canonical SMILES for N-[3-(trifluoromethyl)phenyl]sulfonylpentanamide is CCCCC(=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[3-(trifluoromethyl)phenyl]sulfonylpentanamide?
The InChIKey is ODOUTLKCLFZADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO3S/c1-2-3-7-11(17)16-20(18,19)10-6-4-5-9(8-10)12(13,14)15/h4-6,8H,2-3,7H2,1H3,(H,16,17).
What are the key properties of N-[3-(trifluoromethyl)phenyl]sulfonylpentanamide?
N-[3-(trifluoromethyl)phenyl]sulfonylpentanamide has a molecular weight of 309.31 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)phenyl]sulfonylpentanamide is sourced from PubChem (CID 47270010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).