sulfamoyl chloride;2,2,4-trimethyl-1,3-dioxolane

C6H14ClNO4S — CID 87571306

IUPACsulfamoyl chloride;2,2,4-trimethyl-1,3-dioxolane
SMILESCC1COC(C)(C)O1.NS(=O)(=O)Cl
InChIInChI=1S/C6H12O2.ClH2NO2S/c1-5-4-7-6(2,3)8-5;1-5(2,3)4/h5H,4H2,1-3H3;(H2,2,3,4)
InChIKeyFZFRSXHQXMYQKY-UHFFFAOYSA-N
MW231.70 g/mol
LogP0.59
Rot. Bonds

About sulfamoyl chloride;2,2,4-trimethyl-1,3-dioxolane

sulfamoyl chloride;2,2,4-trimethyl-1,3-dioxolane (PubChem CID 87571306) has the molecular formula C6H14ClNO4S and a molecular weight of 231.70 g/mol. Its IUPAC name is sulfamoyl chloride;2,2,4-trimethyl-1,3-dioxolane.

Molecular Properties

Compound Namesulfamoyl chloride;2,2,4-trimethyl-1,3-dioxolane
PubChem CID87571306
Molecular FormulaC6H14ClNO4S
Molecular Weight231.70 g/mol
Exact Mass231.03
IUPAC Namesulfamoyl chloride;2,2,4-trimethyl-1,3-dioxolane
SMILESCC1COC(C)(C)O1.NS(=O)(=O)Cl
InChIInChI=1S/C6H12O2.ClH2NO2S/c1-5-4-7-6(2,3)8-5;1-5(2,3)4/h5H,4H2,1-3H3;(H2,2,3,4)
InChIKeyFZFRSXHQXMYQKY-UHFFFAOYSA-N
XLogP0.59
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of sulfamoyl chloride;2,2,4-trimethyl-1,3-dioxolane?
The IUPAC name of sulfamoyl chloride;2,2,4-trimethyl-1,3-dioxolane (CID 87571306) is sulfamoyl chloride;2,2,4-trimethyl-1,3-dioxolane.
What is the SMILES notation for sulfamoyl chloride;2,2,4-trimethyl-1,3-dioxolane?
The canonical SMILES for sulfamoyl chloride;2,2,4-trimethyl-1,3-dioxolane is CC1COC(C)(C)O1.NS(=O)(=O)Cl.
What is the InChIKey of sulfamoyl chloride;2,2,4-trimethyl-1,3-dioxolane?
The InChIKey is FZFRSXHQXMYQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2.ClH2NO2S/c1-5-4-7-6(2,3)8-5;1-5(2,3)4/h5H,4H2,1-3H3;(H2,2,3,4).
What are the key properties of sulfamoyl chloride;2,2,4-trimethyl-1,3-dioxolane?
sulfamoyl chloride;2,2,4-trimethyl-1,3-dioxolane has a molecular weight of 231.70 g/mol, XLogP of 0.59, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sulfamoyl chloride;2,2,4-trimethyl-1,3-dioxolane is sourced from PubChem (CID 87571306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).