2-[3-(trifluoromethyl)phenyl]sulfonylpentanamide

C12H14F3NO3S — CID 154120088

IUPAC2-[3-(trifluoromethyl)phenyl]sulfonylpentanamide
SMILESCCCC(C(N)=O)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H14F3NO3S/c1-2-4-10(11(16)17)20(18,19)9-6-3-5-8(7-9)12(13,14)15/h3,5-7,10H,2,4H2,1H3,(H2,16,17)
InChIKeyARDBCMIKQKAZRS-UHFFFAOYSA-N
MW309.31 g/mol
LogP2.13
Rot. Bonds5

About 2-[3-(trifluoromethyl)phenyl]sulfonylpentanamide

2-[3-(trifluoromethyl)phenyl]sulfonylpentanamide (PubChem CID 154120088) has the molecular formula C12H14F3NO3S and a molecular weight of 309.31 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)phenyl]sulfonylpentanamide.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)phenyl]sulfonylpentanamide
PubChem CID154120088
Molecular FormulaC12H14F3NO3S
Molecular Weight309.31 g/mol
Exact Mass309.06
IUPAC Name2-[3-(trifluoromethyl)phenyl]sulfonylpentanamide
SMILESCCCC(C(N)=O)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H14F3NO3S/c1-2-4-10(11(16)17)20(18,19)9-6-3-5-8(7-9)12(13,14)15/h3,5-7,10H,2,4H2,1H3,(H2,16,17)
InChIKeyARDBCMIKQKAZRS-UHFFFAOYSA-N
XLogP2.13
TPSA77.23 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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-((4-Methylphenyl)sulfonyl)acetamide
CID 104164
N-Hydroxy-3-(4-trifluoromethyl-benzenesulfonyl)-propionamide
CID 44404480
2-Cyclopentyl-2-[(4-methylsulfonylphenyl)methylsulfanyl]acetamide
CID 162652807
2-(4-(Ethylsulfonyl)phenyl)acetamide
CID 82494716
N-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-2-methylsulfanylpropanamide
CID 72021214
2-[[2-(Trifluoromethyl)phenyl]methylsulfonyl]propanamide
CID 47206613
3-(4-Methylbenzenesulfonyl)propanamide
CID 676777
2-[3-(Trifluoromethyl)phenyl]sulfanylpropanamide
CID 4875532
2-(2-fluorophenyl)sulfanyl-N-methylsulfonyl-2-phenylacetamide
CID 72140419
3-[3-(Trifluoromethyl)phenyl]sulfonylazepan-2-one
CID 13268936
4-[3-(Trifluoromethyl)phenyl]sulfonylazepan-2-one
CID 20448052
N,2,2-trifluoro-2-(4-methylphenyl)sulfonylacetamide
CID 20558182

Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)phenyl]sulfonylpentanamide?
The IUPAC name of 2-[3-(trifluoromethyl)phenyl]sulfonylpentanamide (CID 154120088) is 2-[3-(trifluoromethyl)phenyl]sulfonylpentanamide.
What is the SMILES notation for 2-[3-(trifluoromethyl)phenyl]sulfonylpentanamide?
The canonical SMILES for 2-[3-(trifluoromethyl)phenyl]sulfonylpentanamide is CCCC(C(N)=O)S(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[3-(trifluoromethyl)phenyl]sulfonylpentanamide?
The InChIKey is ARDBCMIKQKAZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO3S/c1-2-4-10(11(16)17)20(18,19)9-6-3-5-8(7-9)12(13,14)15/h3,5-7,10H,2,4H2,1H3,(H2,16,17).
What are the key properties of 2-[3-(trifluoromethyl)phenyl]sulfonylpentanamide?
2-[3-(trifluoromethyl)phenyl]sulfonylpentanamide has a molecular weight of 309.31 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)phenyl]sulfonylpentanamide is sourced from PubChem (CID 154120088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).