2-[4-(trifluoromethyl)phenyl]sulfonylbutanamide

C11H12F3NO3S — CID 143214859

IUPAC2-[4-(trifluoromethyl)phenyl]sulfonylbutanamide
SMILESCCC(C(N)=O)S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H12F3NO3S/c1-2-9(10(15)16)19(17,18)8-5-3-7(4-6-8)11(12,13)14/h3-6,9H,2H2,1H3,(H2,15,16)
InChIKeyKTELFBKGXJSEFG-UHFFFAOYSA-N
MW295.28 g/mol
LogP1.74
Rot. Bonds4

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

2-[4-(trifluoromethyl)phenyl]sulfonylbutanamide (PubChem CID 143214859) has the molecular formula C11H12F3NO3S and a molecular weight of 295.28 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]sulfonylbutanamide.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenyl]sulfonylbutanamide
PubChem CID143214859
Molecular FormulaC11H12F3NO3S
Molecular Weight295.28 g/mol
Exact Mass295.05
IUPAC Name2-[4-(trifluoromethyl)phenyl]sulfonylbutanamide
SMILESCCC(C(N)=O)S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H12F3NO3S/c1-2-9(10(15)16)19(17,18)8-5-3-7(4-6-8)11(12,13)14/h3-6,9H,2H2,1H3,(H2,15,16)
InChIKeyKTELFBKGXJSEFG-UHFFFAOYSA-N
XLogP1.74
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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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Related Compounds

2-((4-Methylphenyl)sulfonyl)acetamide
CID 104164
5-Methyl-2-(3-methyl-but-2-enyl)-2-(toluene-4-sulfonyl)-hex-4-enoic acid hydroxyamide
CID 11760296
Acetamide, 2-(p-tolylthio)-
CID 51918
2-[(4-Sulfamoylphenyl)methylsulfanyl]acetamide
CID 44343753
N-Hydroxy-3-(4-trifluoromethyl-benzenesulfonyl)-propionamide
CID 44404480
2-[[4-(Trifluoromethyl)phenyl]sulphonyl]ethanethioamide
CID 2744227
N-(4-methylphenyl)sulfonyl-2-methylsulfanylacetamide
CID 5461261
2-Cyclopentyl-2-[(4-methylsulfonylphenyl)methylsulfanyl]acetamide
CID 162652807
3-(Benzylsulfonyl)-2-methylpropanamide
CID 335544
(3-Amino-3-oxopropyl)-dimethylsulfanium;4-methylbenzenesulfonate
CID 10756988
(E)-3-(4-methylphenyl)sulfonylprop-2-enamide
CID 13866248
2-(4-(Ethylsulfonyl)phenyl)acetamide
CID 82494716

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenyl]sulfonylbutanamide?
The IUPAC name of 2-[4-(trifluoromethyl)phenyl]sulfonylbutanamide (CID 143214859) is 2-[4-(trifluoromethyl)phenyl]sulfonylbutanamide.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenyl]sulfonylbutanamide?
The canonical SMILES for 2-[4-(trifluoromethyl)phenyl]sulfonylbutanamide is CCC(C(N)=O)S(=O)(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[4-(trifluoromethyl)phenyl]sulfonylbutanamide?
The InChIKey is KTELFBKGXJSEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO3S/c1-2-9(10(15)16)19(17,18)8-5-3-7(4-6-8)11(12,13)14/h3-6,9H,2H2,1H3,(H2,15,16).
What are the key properties of 2-[4-(trifluoromethyl)phenyl]sulfonylbutanamide?
2-[4-(trifluoromethyl)phenyl]sulfonylbutanamide has a molecular weight of 295.28 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenyl]sulfonylbutanamide is sourced from PubChem (CID 143214859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).