N-(fluorosulfonylcarbamoyl)-N-methylsulfamoyl fluoride

C2H4F2N2O5S2 — CID 167113863

IUPACN-(fluorosulfonylcarbamoyl)-N-methylsulfamoyl fluoride
SMILESCN(C(=O)NS(=O)(=O)F)S(=O)(=O)F
InChIInChI=1S/C2H4F2N2O5S2/c1-6(13(4,10)11)2(7)5-12(3,8)9/h1H3,(H,5,7)
InChIKeyOILXIYPHEBZUEB-UHFFFAOYSA-N
MW238.19 g/mol
LogP-0.94
Rot. Bonds2

About N-(fluorosulfonylcarbamoyl)-N-methylsulfamoyl fluoride

N-(fluorosulfonylcarbamoyl)-N-methylsulfamoyl fluoride (PubChem CID 167113863) has the molecular formula C2H4F2N2O5S2 and a molecular weight of 238.19 g/mol. Its IUPAC name is N-(fluorosulfonylcarbamoyl)-N-methylsulfamoyl fluoride.

Molecular Properties

Compound NameN-(fluorosulfonylcarbamoyl)-N-methylsulfamoyl fluoride
PubChem CID167113863
Molecular FormulaC2H4F2N2O5S2
Molecular Weight238.19 g/mol
Exact Mass237.95
IUPAC NameN-(fluorosulfonylcarbamoyl)-N-methylsulfamoyl fluoride
SMILESCN(C(=O)NS(=O)(=O)F)S(=O)(=O)F
InChIInChI=1S/C2H4F2N2O5S2/c1-6(13(4,10)11)2(7)5-12(3,8)9/h1H3,(H,5,7)
InChIKeyOILXIYPHEBZUEB-UHFFFAOYSA-N
XLogP-0.94
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.19
LogP ≤ 5-0.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-3-methylsulfonyl-1-sulfamoylurea
CID 91357985
acetic acid;N-ethylsulfamoyl fluoride
CID 175435767
prop-2-ynyl N-fluorosulfonyl-N-methylcarbamate
CID 170085564
methyl N-methyl-N-sulfamoylcarbamate
CID 88598186
1-methyl-1-methylsulfonyl-3-propylurea
CID 173463477
N-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]sulfamoyl fluoride
CID 20608059
N-hydroxy-2-[methyl(methylsulfonyl)amino]acetamide
CID 130678622
N-methylsulfamoyl fluoride;dihydrochloride
CID 168846426
3-[fluorosulfonyl(methyl)amino]propanoate
CID 140799713
methane;N-methylacetamide;N-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)methanesulfonamide
CID 164997769
lithium;hydride;methyl fluorosulfonylformate
CID 175482440
chlorosulfonyl(methyl)carbamic acid
CID 54460545

Frequently Asked Questions

What is the IUPAC name of N-(fluorosulfonylcarbamoyl)-N-methylsulfamoyl fluoride?
The IUPAC name of N-(fluorosulfonylcarbamoyl)-N-methylsulfamoyl fluoride (CID 167113863) is N-(fluorosulfonylcarbamoyl)-N-methylsulfamoyl fluoride.
What is the SMILES notation for N-(fluorosulfonylcarbamoyl)-N-methylsulfamoyl fluoride?
The canonical SMILES for N-(fluorosulfonylcarbamoyl)-N-methylsulfamoyl fluoride is CN(C(=O)NS(=O)(=O)F)S(=O)(=O)F.
What is the InChIKey of N-(fluorosulfonylcarbamoyl)-N-methylsulfamoyl fluoride?
The InChIKey is OILXIYPHEBZUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4F2N2O5S2/c1-6(13(4,10)11)2(7)5-12(3,8)9/h1H3,(H,5,7).
What are the key properties of N-(fluorosulfonylcarbamoyl)-N-methylsulfamoyl fluoride?
N-(fluorosulfonylcarbamoyl)-N-methylsulfamoyl fluoride has a molecular weight of 238.19 g/mol, XLogP of -0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(fluorosulfonylcarbamoyl)-N-methylsulfamoyl fluoride is sourced from PubChem (CID 167113863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).