methylsulfonylmethanesulfonyl chloride

C2H5ClO4S2 — CID 556269

IUPACmethylsulfonylmethanesulfonyl chloride
SMILESCS(=O)(=O)CS(=O)(=O)Cl
InChIInChI=1S/C2H5ClO4S2/c1-8(4,5)2-9(3,6)7/h2H2,1H3
InChIKeyDQDYGBSUPOHHMW-UHFFFAOYSA-N
MW192.64 g/mol
LogP-0.44
Rot. Bonds2

About methylsulfonylmethanesulfonyl chloride

methylsulfonylmethanesulfonyl chloride (PubChem CID 556269) has the molecular formula C2H5ClO4S2 and a molecular weight of 192.64 g/mol. Its IUPAC name is methylsulfonylmethanesulfonyl chloride.

Molecular Properties

Compound Namemethylsulfonylmethanesulfonyl chloride
PubChem CID556269
Molecular FormulaC2H5ClO4S2
Molecular Weight192.64 g/mol
Exact Mass191.93
IUPAC Namemethylsulfonylmethanesulfonyl chloride
SMILESCS(=O)(=O)CS(=O)(=O)Cl
InChIInChI=1S/C2H5ClO4S2/c1-8(4,5)2-9(3,6)7/h2H2,1H3
InChIKeyDQDYGBSUPOHHMW-UHFFFAOYSA-N
XLogP-0.44
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.64
LogP ≤ 5-0.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methylsulfonylmethanesulfonyl chloride?
The IUPAC name of methylsulfonylmethanesulfonyl chloride (CID 556269) is methylsulfonylmethanesulfonyl chloride.
What is the SMILES notation for methylsulfonylmethanesulfonyl chloride?
The canonical SMILES for methylsulfonylmethanesulfonyl chloride is CS(=O)(=O)CS(=O)(=O)Cl.
What is the InChIKey of methylsulfonylmethanesulfonyl chloride?
The InChIKey is DQDYGBSUPOHHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5ClO4S2/c1-8(4,5)2-9(3,6)7/h2H2,1H3.
What are the key properties of methylsulfonylmethanesulfonyl chloride?
methylsulfonylmethanesulfonyl chloride has a molecular weight of 192.64 g/mol, XLogP of -0.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfonylmethanesulfonyl chloride is sourced from PubChem (CID 556269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).