4-[3-(trifluoromethyl)phenyl]sulfonylbutanamide

C11H12F3NO3S — CID 90940841

IUPAC4-[3-(trifluoromethyl)phenyl]sulfonylbutanamide
SMILESNC(=O)CCCS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H12F3NO3S/c12-11(13,14)8-3-1-4-9(7-8)19(17,18)6-2-5-10(15)16/h1,3-4,7H,2,5-6H2,(H2,15,16)
InChIKeyAFDCEMJFBJFUMC-UHFFFAOYSA-N
MW295.28 g/mol
LogP1.74
Rot. Bonds5

About 4-[3-(trifluoromethyl)phenyl]sulfonylbutanamide

4-[3-(trifluoromethyl)phenyl]sulfonylbutanamide (PubChem CID 90940841) has the molecular formula C11H12F3NO3S and a molecular weight of 295.28 g/mol. Its IUPAC name is 4-[3-(trifluoromethyl)phenyl]sulfonylbutanamide.

Molecular Properties

Compound Name4-[3-(trifluoromethyl)phenyl]sulfonylbutanamide
PubChem CID90940841
Molecular FormulaC11H12F3NO3S
Molecular Weight295.28 g/mol
Exact Mass295.05
IUPAC Name4-[3-(trifluoromethyl)phenyl]sulfonylbutanamide
SMILESNC(=O)CCCS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H12F3NO3S/c12-11(13,14)8-3-1-4-9(7-8)19(17,18)6-2-5-10(15)16/h1,3-4,7H,2,5-6H2,(H2,15,16)
InChIKeyAFDCEMJFBJFUMC-UHFFFAOYSA-N
XLogP1.74
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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-Fluorophenyl)methylsulfonyl]acetamide
CID 45892024
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
3-(4-Methylbenzenesulfonyl)propanamide
CID 676777
(2R)-3-benzylsulfonyl-2-methylpropanamide
CID 3246651
2-[3-(Trifluoromethyl)phenyl]sulfanylpropanamide
CID 4875532

Frequently Asked Questions

What is the IUPAC name of 4-[3-(trifluoromethyl)phenyl]sulfonylbutanamide?
The IUPAC name of 4-[3-(trifluoromethyl)phenyl]sulfonylbutanamide (CID 90940841) is 4-[3-(trifluoromethyl)phenyl]sulfonylbutanamide.
What is the SMILES notation for 4-[3-(trifluoromethyl)phenyl]sulfonylbutanamide?
The canonical SMILES for 4-[3-(trifluoromethyl)phenyl]sulfonylbutanamide is NC(=O)CCCS(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-[3-(trifluoromethyl)phenyl]sulfonylbutanamide?
The InChIKey is AFDCEMJFBJFUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO3S/c12-11(13,14)8-3-1-4-9(7-8)19(17,18)6-2-5-10(15)16/h1,3-4,7H,2,5-6H2,(H2,15,16).
What are the key properties of 4-[3-(trifluoromethyl)phenyl]sulfonylbutanamide?
4-[3-(trifluoromethyl)phenyl]sulfonylbutanamide has a molecular weight of 295.28 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(trifluoromethyl)phenyl]sulfonylbutanamide is sourced from PubChem (CID 90940841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).