2-[2-(trifluoromethyl)phenyl]sulfinylacetamide

C9H8F3NO2S — CID 141176336

IUPAC2-[2-(trifluoromethyl)phenyl]sulfinylacetamide
SMILESNC(=O)CS(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C9H8F3NO2S/c10-9(11,12)6-3-1-2-4-7(6)16(15)5-8(13)14/h1-4H,5H2,(H2,13,14)
InChIKeyQJHWXXVFPLAJFO-UHFFFAOYSA-N
MW251.23 g/mol
LogP1.30
Rot. Bonds3

About 2-[2-(trifluoromethyl)phenyl]sulfinylacetamide

2-[2-(trifluoromethyl)phenyl]sulfinylacetamide (PubChem CID 141176336) has the molecular formula C9H8F3NO2S and a molecular weight of 251.23 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)phenyl]sulfinylacetamide.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)phenyl]sulfinylacetamide
PubChem CID141176336
Molecular FormulaC9H8F3NO2S
Molecular Weight251.23 g/mol
Exact Mass251.02
IUPAC Name2-[2-(trifluoromethyl)phenyl]sulfinylacetamide
SMILESNC(=O)CS(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C9H8F3NO2S/c10-9(11,12)6-3-1-2-4-7(6)16(15)5-8(13)14/h1-4H,5H2,(H2,13,14)
InChIKeyQJHWXXVFPLAJFO-UHFFFAOYSA-N
XLogP1.30
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.23
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)phenyl]sulfinylacetamide?
The IUPAC name of 2-[2-(trifluoromethyl)phenyl]sulfinylacetamide (CID 141176336) is 2-[2-(trifluoromethyl)phenyl]sulfinylacetamide.
What is the SMILES notation for 2-[2-(trifluoromethyl)phenyl]sulfinylacetamide?
The canonical SMILES for 2-[2-(trifluoromethyl)phenyl]sulfinylacetamide is NC(=O)CS(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-[2-(trifluoromethyl)phenyl]sulfinylacetamide?
The InChIKey is QJHWXXVFPLAJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO2S/c10-9(11,12)6-3-1-2-4-7(6)16(15)5-8(13)14/h1-4H,5H2,(H2,13,14).
What are the key properties of 2-[2-(trifluoromethyl)phenyl]sulfinylacetamide?
2-[2-(trifluoromethyl)phenyl]sulfinylacetamide has a molecular weight of 251.23 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)phenyl]sulfinylacetamide is sourced from PubChem (CID 141176336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).