[5-(2,2,2-trifluoroacetyl)thiophen-2-yl]sulfonylformamide

C7H4F3NO4S2 — CID 87356571

IUPAC[5-(2,2,2-trifluoroacetyl)thiophen-2-yl]sulfonylformamide
SMILESNC(=O)S(=O)(=O)c1ccc(C(=O)C(F)(F)F)s1
InChIInChI=1S/C7H4F3NO4S2/c8-7(9,10)5(12)3-1-2-4(16-3)17(14,15)6(11)13/h1-2H,(H2,11,13)
InChIKeyQYQJTBQWASIIOK-UHFFFAOYSA-N
MW287.24 g/mol
LogP1.35
Rot. Bonds2

About [5-(2,2,2-trifluoroacetyl)thiophen-2-yl]sulfonylformamide

[5-(2,2,2-trifluoroacetyl)thiophen-2-yl]sulfonylformamide (PubChem CID 87356571) has the molecular formula C7H4F3NO4S2 and a molecular weight of 287.24 g/mol. Its IUPAC name is [5-(2,2,2-trifluoroacetyl)thiophen-2-yl]sulfonylformamide.

Molecular Properties

Compound Name[5-(2,2,2-trifluoroacetyl)thiophen-2-yl]sulfonylformamide
PubChem CID87356571
Molecular FormulaC7H4F3NO4S2
Molecular Weight287.24 g/mol
Exact Mass286.95
IUPAC Name[5-(2,2,2-trifluoroacetyl)thiophen-2-yl]sulfonylformamide
SMILESNC(=O)S(=O)(=O)c1ccc(C(=O)C(F)(F)F)s1
InChIInChI=1S/C7H4F3NO4S2/c8-7(9,10)5(12)3-1-2-4(16-3)17(14,15)6(11)13/h1-2H,(H2,11,13)
InChIKeyQYQJTBQWASIIOK-UHFFFAOYSA-N
XLogP1.35
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.24
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-(2,2,2-trifluoroacetyl)thiophen-2-yl]sulfonylformamide?
The IUPAC name of [5-(2,2,2-trifluoroacetyl)thiophen-2-yl]sulfonylformamide (CID 87356571) is [5-(2,2,2-trifluoroacetyl)thiophen-2-yl]sulfonylformamide.
What is the SMILES notation for [5-(2,2,2-trifluoroacetyl)thiophen-2-yl]sulfonylformamide?
The canonical SMILES for [5-(2,2,2-trifluoroacetyl)thiophen-2-yl]sulfonylformamide is NC(=O)S(=O)(=O)c1ccc(C(=O)C(F)(F)F)s1.
What is the InChIKey of [5-(2,2,2-trifluoroacetyl)thiophen-2-yl]sulfonylformamide?
The InChIKey is QYQJTBQWASIIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3NO4S2/c8-7(9,10)5(12)3-1-2-4(16-3)17(14,15)6(11)13/h1-2H,(H2,11,13).
What are the key properties of [5-(2,2,2-trifluoroacetyl)thiophen-2-yl]sulfonylformamide?
[5-(2,2,2-trifluoroacetyl)thiophen-2-yl]sulfonylformamide has a molecular weight of 287.24 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,2,2-trifluoroacetyl)thiophen-2-yl]sulfonylformamide is sourced from PubChem (CID 87356571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).