2-[3-(trifluoromethyl)phenyl]sulfonylbutanamide

C11H12F3NO3S — CID 148550078

IUPAC2-[3-(trifluoromethyl)phenyl]sulfonylbutanamide
SMILESCCC(C(N)=O)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H12F3NO3S/c1-2-9(10(15)16)19(17,18)8-5-3-4-7(6-8)11(12,13)14/h3-6,9H,2H2,1H3,(H2,15,16)
InChIKeyHMBRMXGYJCGHLR-UHFFFAOYSA-N
MW295.28 g/mol
LogP1.74
Rot. Bonds4

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

2-[3-(trifluoromethyl)phenyl]sulfonylbutanamide (PubChem CID 148550078) has the molecular formula C11H12F3NO3S and a molecular weight of 295.28 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)phenyl]sulfonylbutanamide.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)phenyl]sulfonylbutanamide
PubChem CID148550078
Molecular FormulaC11H12F3NO3S
Molecular Weight295.28 g/mol
Exact Mass295.05
IUPAC Name2-[3-(trifluoromethyl)phenyl]sulfonylbutanamide
SMILESCCC(C(N)=O)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H12F3NO3S/c1-2-9(10(15)16)19(17,18)8-5-3-4-7(6-8)11(12,13)14/h3-6,9H,2H2,1H3,(H2,15,16)
InChIKeyHMBRMXGYJCGHLR-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
N-Hydroxy-3-(4-trifluoromethyl-benzenesulfonyl)-propionamide
CID 44404480
3-(Benzylsulfonyl)-2-methylpropanamide
CID 335544
2-(4-(Ethylsulfonyl)phenyl)acetamide
CID 82494716
2-[(4-Fluorophenyl)methylsulfonyl]acetamide
CID 45892024
N-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-2-methylpropanamide
CID 53596806
N-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-2-methylsulfanylpropanamide
CID 72021214
2-Benzylsulfonylacetamide
CID 18474261
2-[[2-(Trifluoromethyl)phenyl]methylsulfonyl]propanamide
CID 47206613
2-[2-(Trifluoromethyl)phenyl]sulfanylacetamide
CID 173425657
3-(Benzylsulfonyl)propanamide
CID 335895
2-{[(4-Methylphenyl)sulfonyl]methyl}acrylamide
CID 832392

Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)phenyl]sulfonylbutanamide?
The IUPAC name of 2-[3-(trifluoromethyl)phenyl]sulfonylbutanamide (CID 148550078) is 2-[3-(trifluoromethyl)phenyl]sulfonylbutanamide.
What is the SMILES notation for 2-[3-(trifluoromethyl)phenyl]sulfonylbutanamide?
The canonical SMILES for 2-[3-(trifluoromethyl)phenyl]sulfonylbutanamide is CCC(C(N)=O)S(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[3-(trifluoromethyl)phenyl]sulfonylbutanamide?
The InChIKey is HMBRMXGYJCGHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO3S/c1-2-9(10(15)16)19(17,18)8-5-3-4-7(6-8)11(12,13)14/h3-6,9H,2H2,1H3,(H2,15,16).
What are the key properties of 2-[3-(trifluoromethyl)phenyl]sulfonylbutanamide?
2-[3-(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-[3-(trifluoromethyl)phenyl]sulfonylbutanamide is sourced from PubChem (CID 148550078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).