2-[3-(trifluoromethyl)phenyl]sulfonylacetamide

C9H8F3NO3S — CID 141176270

IUPAC2-[3-(trifluoromethyl)phenyl]sulfonylacetamide
SMILESNC(=O)CS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H8F3NO3S/c10-9(11,12)6-2-1-3-7(4-6)17(15,16)5-8(13)14/h1-4H,5H2,(H2,13,14)
InChIKeyGQWXLMSBLKOHDY-UHFFFAOYSA-N
MW267.23 g/mol
LogP0.96
Rot. Bonds3

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

2-[3-(trifluoromethyl)phenyl]sulfonylacetamide (PubChem CID 141176270) has the molecular formula C9H8F3NO3S and a molecular weight of 267.23 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)phenyl]sulfonylacetamide.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)phenyl]sulfonylacetamide
PubChem CID141176270
Molecular FormulaC9H8F3NO3S
Molecular Weight267.23 g/mol
Exact Mass267.02
IUPAC Name2-[3-(trifluoromethyl)phenyl]sulfonylacetamide
SMILESNC(=O)CS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H8F3NO3S/c10-9(11,12)6-2-1-3-7(4-6)17(15,16)5-8(13)14/h1-4H,5H2,(H2,13,14)
InChIKeyGQWXLMSBLKOHDY-UHFFFAOYSA-N
XLogP0.96
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.23
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)phenyl]sulfonylacetamide?
The IUPAC name of 2-[3-(trifluoromethyl)phenyl]sulfonylacetamide (CID 141176270) is 2-[3-(trifluoromethyl)phenyl]sulfonylacetamide.
What is the SMILES notation for 2-[3-(trifluoromethyl)phenyl]sulfonylacetamide?
The canonical SMILES for 2-[3-(trifluoromethyl)phenyl]sulfonylacetamide is NC(=O)CS(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[3-(trifluoromethyl)phenyl]sulfonylacetamide?
The InChIKey is GQWXLMSBLKOHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO3S/c10-9(11,12)6-2-1-3-7(4-6)17(15,16)5-8(13)14/h1-4H,5H2,(H2,13,14).
What are the key properties of 2-[3-(trifluoromethyl)phenyl]sulfonylacetamide?
2-[3-(trifluoromethyl)phenyl]sulfonylacetamide has a molecular weight of 267.23 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)phenyl]sulfonylacetamide is sourced from PubChem (CID 141176270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).