N-methylsulfamoyl fluoride;dihydrochloride

CH6Cl2FNO2S — CID 168846426

IUPACN-methylsulfamoyl fluoride;dihydrochloride
SMILESCNS(=O)(=O)F.Cl.Cl
InChIInChI=1S/CH4FNO2S.2ClH/c1-3-6(2,4)5;;/h3H,1H3;2*1H
InChIKeyBWUQPONJECPPNV-UHFFFAOYSA-N
MW186.04 g/mol
LogP0.26
Rot. Bonds1

About N-methylsulfamoyl fluoride;dihydrochloride

N-methylsulfamoyl fluoride;dihydrochloride (PubChem CID 168846426) has the molecular formula CH6Cl2FNO2S and a molecular weight of 186.04 g/mol. Its IUPAC name is N-methylsulfamoyl fluoride;dihydrochloride.

Molecular Properties

Compound NameN-methylsulfamoyl fluoride;dihydrochloride
PubChem CID168846426
Molecular FormulaCH6Cl2FNO2S
Molecular Weight186.04 g/mol
Exact Mass184.95
IUPAC NameN-methylsulfamoyl fluoride;dihydrochloride
SMILESCNS(=O)(=O)F.Cl.Cl
InChIInChI=1S/CH4FNO2S.2ClH/c1-3-6(2,4)5;;/h3H,1H3;2*1H
InChIKeyBWUQPONJECPPNV-UHFFFAOYSA-N
XLogP0.26
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.04
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methylsulfamoyl fluoride;dihydrochloride?
The IUPAC name of N-methylsulfamoyl fluoride;dihydrochloride (CID 168846426) is N-methylsulfamoyl fluoride;dihydrochloride.
What is the SMILES notation for N-methylsulfamoyl fluoride;dihydrochloride?
The canonical SMILES for N-methylsulfamoyl fluoride;dihydrochloride is CNS(=O)(=O)F.Cl.Cl.
What is the InChIKey of N-methylsulfamoyl fluoride;dihydrochloride?
The InChIKey is BWUQPONJECPPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4FNO2S.2ClH/c1-3-6(2,4)5;;/h3H,1H3;2*1H.
What are the key properties of N-methylsulfamoyl fluoride;dihydrochloride?
N-methylsulfamoyl fluoride;dihydrochloride has a molecular weight of 186.04 g/mol, XLogP of 0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylsulfamoyl fluoride;dihydrochloride is sourced from PubChem (CID 168846426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).