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

C5H7F3N2O6S2 — CID 89050003

IUPAC2-(acetylsulfamoyl)-N-(trifluoromethylsulfonyl)acetamide
SMILESCC(=O)NS(=O)(=O)CC(=O)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H7F3N2O6S2/c1-3(11)9-17(13,14)2-4(12)10-18(15,16)5(6,7)8/h2H2,1H3,(H,9,11)(H,10,12)
InChIKeyIVWVBDLMUXLHHE-UHFFFAOYSA-N
MW312.25 g/mol
LogP-1.58
Rot. Bonds4

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

2-(acetylsulfamoyl)-N-(trifluoromethylsulfonyl)acetamide (PubChem CID 89050003) has the molecular formula C5H7F3N2O6S2 and a molecular weight of 312.25 g/mol. Its IUPAC name is 2-(acetylsulfamoyl)-N-(trifluoromethylsulfonyl)acetamide.

Molecular Properties

Compound Name2-(acetylsulfamoyl)-N-(trifluoromethylsulfonyl)acetamide
PubChem CID89050003
Molecular FormulaC5H7F3N2O6S2
Molecular Weight312.25 g/mol
Exact Mass311.97
IUPAC Name2-(acetylsulfamoyl)-N-(trifluoromethylsulfonyl)acetamide
SMILESCC(=O)NS(=O)(=O)CC(=O)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H7F3N2O6S2/c1-3(11)9-17(13,14)2-4(12)10-18(15,16)5(6,7)8/h2H2,1H3,(H,9,11)(H,10,12)
InChIKeyIVWVBDLMUXLHHE-UHFFFAOYSA-N
XLogP-1.58
TPSA126.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 5-1.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,1,2,2,2-pentafluoroethylsulfonyl)acetamide
CID 20807111
N-ethylsulfonyl-2,2,2-trifluoroacetamide
CID 54530111
N-(2,2,2-trifluoroethylsulfonyl)acetamide
CID 57895605
1,1-Difluoro-2-(methanesulfonamido)-2-oxoethanesulfonyl fluoride
CID 60098321
2-(acetylsulfamoyl)-N-(fluoromethylsulfonyl)acetamide
CID 88306304
2-(acetylsulfamoyl)-2-sulfanylidene-N-(trifluoromethylsulfonyl)acetamide
CID 89050021
2,2,2-trifluoro-N-propylsulfonylacetamide
CID 89381662
1,1-Difluoro-2-(methanesulfonamido)-2-oxoethanesulfonyl fluoride;ethane
CID 91344923
acetamide LiTFSI
CID 131731365
2,2,2-trifluoro-N-propan-2-ylsulfonylacetamide
CID 138725698
N-(3,3-difluoropropylsulfonyl)acetamide
CID 151371667
N-(3,3,3-trifluoropropylsulfonyl)acetamide
CID 154512367

Frequently Asked Questions

What is the IUPAC name of 2-(acetylsulfamoyl)-N-(trifluoromethylsulfonyl)acetamide?
The IUPAC name of 2-(acetylsulfamoyl)-N-(trifluoromethylsulfonyl)acetamide (CID 89050003) is 2-(acetylsulfamoyl)-N-(trifluoromethylsulfonyl)acetamide.
What is the SMILES notation for 2-(acetylsulfamoyl)-N-(trifluoromethylsulfonyl)acetamide?
The canonical SMILES for 2-(acetylsulfamoyl)-N-(trifluoromethylsulfonyl)acetamide is CC(=O)NS(=O)(=O)CC(=O)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 2-(acetylsulfamoyl)-N-(trifluoromethylsulfonyl)acetamide?
The InChIKey is IVWVBDLMUXLHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3N2O6S2/c1-3(11)9-17(13,14)2-4(12)10-18(15,16)5(6,7)8/h2H2,1H3,(H,9,11)(H,10,12).
What are the key properties of 2-(acetylsulfamoyl)-N-(trifluoromethylsulfonyl)acetamide?
2-(acetylsulfamoyl)-N-(trifluoromethylsulfonyl)acetamide has a molecular weight of 312.25 g/mol, XLogP of -1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(acetylsulfamoyl)-N-(trifluoromethylsulfonyl)acetamide is sourced from PubChem (CID 89050003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).