2-(acetylsulfamoyl)-2-sulfanylidene-N-(trifluoromethylsulfonyl)acetamide

C5H5F3N2O6S3 — CID 89050021

IUPAC2-(acetylsulfamoyl)-2-sulfanylidene-N-(trifluoromethylsulfonyl)acetamide
SMILESCC(=O)NS(=O)(=O)C(=S)C(=O)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H5F3N2O6S3/c1-2(11)9-18(13,14)4(17)3(12)10-19(15,16)5(6,7)8/h1H3,(H,9,11)(H,10,12)
InChIKeyKDDDZHSRHHFOJR-UHFFFAOYSA-N
MW342.30 g/mol
LogP-1.25
Rot. Bonds1

About 2-(acetylsulfamoyl)-2-sulfanylidene-N-(trifluoromethylsulfonyl)acetamide

2-(acetylsulfamoyl)-2-sulfanylidene-N-(trifluoromethylsulfonyl)acetamide (PubChem CID 89050021) has the molecular formula C5H5F3N2O6S3 and a molecular weight of 342.30 g/mol. Its IUPAC name is 2-(acetylsulfamoyl)-2-sulfanylidene-N-(trifluoromethylsulfonyl)acetamide.

Molecular Properties

Compound Name2-(acetylsulfamoyl)-2-sulfanylidene-N-(trifluoromethylsulfonyl)acetamide
PubChem CID89050021
Molecular FormulaC5H5F3N2O6S3
Molecular Weight342.30 g/mol
Exact Mass341.93
IUPAC Name2-(acetylsulfamoyl)-2-sulfanylidene-N-(trifluoromethylsulfonyl)acetamide
SMILESCC(=O)NS(=O)(=O)C(=S)C(=O)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H5F3N2O6S3/c1-2(11)9-18(13,14)4(17)3(12)10-19(15,16)5(6,7)8/h1H3,(H,9,11)(H,10,12)
InChIKeyKDDDZHSRHHFOJR-UHFFFAOYSA-N
XLogP-1.25
TPSA126.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.30
LogP ≤ 5-1.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(acetylsulfamoyl)-2-sulfanylidene-N-(trifluoromethylsulfonyl)acetamide?
The IUPAC name of 2-(acetylsulfamoyl)-2-sulfanylidene-N-(trifluoromethylsulfonyl)acetamide (CID 89050021) is 2-(acetylsulfamoyl)-2-sulfanylidene-N-(trifluoromethylsulfonyl)acetamide.
What is the SMILES notation for 2-(acetylsulfamoyl)-2-sulfanylidene-N-(trifluoromethylsulfonyl)acetamide?
The canonical SMILES for 2-(acetylsulfamoyl)-2-sulfanylidene-N-(trifluoromethylsulfonyl)acetamide is CC(=O)NS(=O)(=O)C(=S)C(=O)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 2-(acetylsulfamoyl)-2-sulfanylidene-N-(trifluoromethylsulfonyl)acetamide?
The InChIKey is KDDDZHSRHHFOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2O6S3/c1-2(11)9-18(13,14)4(17)3(12)10-19(15,16)5(6,7)8/h1H3,(H,9,11)(H,10,12).
What are the key properties of 2-(acetylsulfamoyl)-2-sulfanylidene-N-(trifluoromethylsulfonyl)acetamide?
2-(acetylsulfamoyl)-2-sulfanylidene-N-(trifluoromethylsulfonyl)acetamide has a molecular weight of 342.30 g/mol, XLogP of -1.25, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(acetylsulfamoyl)-2-sulfanylidene-N-(trifluoromethylsulfonyl)acetamide is sourced from PubChem (CID 89050021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).