(thiophen-2-ylsulfonylamino) 2,2,2-trifluoroacetate

C6H4F3NO4S2 — CID 57476061

IUPAC(thiophen-2-ylsulfonylamino) 2,2,2-trifluoroacetate
SMILESO=C(ONS(=O)(=O)c1cccs1)C(F)(F)F
InChIInChI=1S/C6H4F3NO4S2/c7-6(8,9)5(11)14-10-16(12,13)4-2-1-3-15-4/h1-3,10H
InChIKeyZSTPBAJXXFNWCR-UHFFFAOYSA-N
MW275.23 g/mol
LogP1.05
Rot. Bonds3

About (thiophen-2-ylsulfonylamino) 2,2,2-trifluoroacetate

(thiophen-2-ylsulfonylamino) 2,2,2-trifluoroacetate (PubChem CID 57476061) has the molecular formula C6H4F3NO4S2 and a molecular weight of 275.23 g/mol. Its IUPAC name is (thiophen-2-ylsulfonylamino) 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name(thiophen-2-ylsulfonylamino) 2,2,2-trifluoroacetate
PubChem CID57476061
Molecular FormulaC6H4F3NO4S2
Molecular Weight275.23 g/mol
Exact Mass274.95
IUPAC Name(thiophen-2-ylsulfonylamino) 2,2,2-trifluoroacetate
SMILESO=C(ONS(=O)(=O)c1cccs1)C(F)(F)F
InChIInChI=1S/C6H4F3NO4S2/c7-6(8,9)5(11)14-10-16(12,13)4-2-1-3-15-4/h1-3,10H
InChIKeyZSTPBAJXXFNWCR-UHFFFAOYSA-N
XLogP1.05
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (thiophen-2-ylsulfonylamino) 2,2,2-trifluoroacetate?
The IUPAC name of (thiophen-2-ylsulfonylamino) 2,2,2-trifluoroacetate (CID 57476061) is (thiophen-2-ylsulfonylamino) 2,2,2-trifluoroacetate.
What is the SMILES notation for (thiophen-2-ylsulfonylamino) 2,2,2-trifluoroacetate?
The canonical SMILES for (thiophen-2-ylsulfonylamino) 2,2,2-trifluoroacetate is O=C(ONS(=O)(=O)c1cccs1)C(F)(F)F.
What is the InChIKey of (thiophen-2-ylsulfonylamino) 2,2,2-trifluoroacetate?
The InChIKey is ZSTPBAJXXFNWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NO4S2/c7-6(8,9)5(11)14-10-16(12,13)4-2-1-3-15-4/h1-3,10H.
What are the key properties of (thiophen-2-ylsulfonylamino) 2,2,2-trifluoroacetate?
(thiophen-2-ylsulfonylamino) 2,2,2-trifluoroacetate has a molecular weight of 275.23 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (thiophen-2-ylsulfonylamino) 2,2,2-trifluoroacetate is sourced from PubChem (CID 57476061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).