2,2-difluoro-N-methylsulfonyl-2-(methylsulfonylsulfamoyl)acetamide

C4H8F2N2O7S3 — CID 162482335

IUPAC2,2-difluoro-N-methylsulfonyl-2-(methylsulfonylsulfamoyl)acetamide
SMILESCS(=O)(=O)NC(=O)C(F)(F)S(=O)(=O)NS(C)(=O)=O
InChIInChI=1S/C4H8F2N2O7S3/c1-16(10,11)7-3(9)4(5,6)18(14,15)8-17(2,12)13/h8H,1-2H3,(H,7,9)
InChIKeyLAYKONMWPCKDGE-UHFFFAOYSA-N
MW330.31 g/mol
LogP-2.47
Rot. Bonds5

About 2,2-difluoro-N-methylsulfonyl-2-(methylsulfonylsulfamoyl)acetamide

2,2-difluoro-N-methylsulfonyl-2-(methylsulfonylsulfamoyl)acetamide (PubChem CID 162482335) has the molecular formula C4H8F2N2O7S3 and a molecular weight of 330.31 g/mol. Its IUPAC name is 2,2-difluoro-N-methylsulfonyl-2-(methylsulfonylsulfamoyl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-methylsulfonyl-2-(methylsulfonylsulfamoyl)acetamide
PubChem CID162482335
Molecular FormulaC4H8F2N2O7S3
Molecular Weight330.31 g/mol
Exact Mass329.95
IUPAC Name2,2-difluoro-N-methylsulfonyl-2-(methylsulfonylsulfamoyl)acetamide
SMILESCS(=O)(=O)NC(=O)C(F)(F)S(=O)(=O)NS(C)(=O)=O
InChIInChI=1S/C4H8F2N2O7S3/c1-16(10,11)7-3(9)4(5,6)18(14,15)8-17(2,12)13/h8H,1-2H3,(H,7,9)
InChIKeyLAYKONMWPCKDGE-UHFFFAOYSA-N
XLogP-2.47
TPSA143.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 5-2.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-methylsulfonyl-2-(methylsulfonylsulfamoyl)acetamide?
The IUPAC name of 2,2-difluoro-N-methylsulfonyl-2-(methylsulfonylsulfamoyl)acetamide (CID 162482335) is 2,2-difluoro-N-methylsulfonyl-2-(methylsulfonylsulfamoyl)acetamide.
What is the SMILES notation for 2,2-difluoro-N-methylsulfonyl-2-(methylsulfonylsulfamoyl)acetamide?
The canonical SMILES for 2,2-difluoro-N-methylsulfonyl-2-(methylsulfonylsulfamoyl)acetamide is CS(=O)(=O)NC(=O)C(F)(F)S(=O)(=O)NS(C)(=O)=O.
What is the InChIKey of 2,2-difluoro-N-methylsulfonyl-2-(methylsulfonylsulfamoyl)acetamide?
The InChIKey is LAYKONMWPCKDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F2N2O7S3/c1-16(10,11)7-3(9)4(5,6)18(14,15)8-17(2,12)13/h8H,1-2H3,(H,7,9).
What are the key properties of 2,2-difluoro-N-methylsulfonyl-2-(methylsulfonylsulfamoyl)acetamide?
2,2-difluoro-N-methylsulfonyl-2-(methylsulfonylsulfamoyl)acetamide has a molecular weight of 330.31 g/mol, XLogP of -2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-methylsulfonyl-2-(methylsulfonylsulfamoyl)acetamide is sourced from PubChem (CID 162482335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).