2-(chlorosulfonylmethylsulfonyloxy)ethyl chlorosulfonylmethanesulfonate

C4H8Cl2O10S4 — CID 58773910

IUPAC2-(chlorosulfonylmethylsulfonyloxy)ethyl chlorosulfonylmethanesulfonate
SMILESO=S(=O)(Cl)CS(=O)(=O)OCCOS(=O)(=O)CS(=O)(=O)Cl
InChIInChI=1S/C4H8Cl2O10S4/c5-17(7,8)3-19(11,12)15-1-2-16-20(13,14)4-18(6,9)10/h1-4H2
InChIKeyVLAMEWOIOMFPGE-UHFFFAOYSA-N
MW415.27 g/mol
LogP-1.27
Rot. Bonds9

About 2-(chlorosulfonylmethylsulfonyloxy)ethyl chlorosulfonylmethanesulfonate

2-(chlorosulfonylmethylsulfonyloxy)ethyl chlorosulfonylmethanesulfonate (PubChem CID 58773910) has the molecular formula C4H8Cl2O10S4 and a molecular weight of 415.27 g/mol. Its IUPAC name is 2-(chlorosulfonylmethylsulfonyloxy)ethyl chlorosulfonylmethanesulfonate.

Molecular Properties

Compound Name2-(chlorosulfonylmethylsulfonyloxy)ethyl chlorosulfonylmethanesulfonate
PubChem CID58773910
Molecular FormulaC4H8Cl2O10S4
Molecular Weight415.27 g/mol
Exact Mass413.84
IUPAC Name2-(chlorosulfonylmethylsulfonyloxy)ethyl chlorosulfonylmethanesulfonate
SMILESO=S(=O)(Cl)CS(=O)(=O)OCCOS(=O)(=O)CS(=O)(=O)Cl
InChIInChI=1S/C4H8Cl2O10S4/c5-17(7,8)3-19(11,12)15-1-2-16-20(13,14)4-18(6,9)10/h1-4H2
InChIKeyVLAMEWOIOMFPGE-UHFFFAOYSA-N
XLogP-1.27
TPSA155.02 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.27
LogP ≤ 5-1.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

sodium 2-chloroethoxysulfonylmethanesulfonate
CID 90661210
2-hydroxyethyl chloromethylsulfonylmethanesulfonate
CID 146292498
butoxysulfonylmethanesulfonic acid
CID 151818041
3-ethylsulfonyloxypropyl ethanesulfonate
CID 87127972
2-[2-[2-(2-propylsulfonyloxyethoxy)ethoxy]ethoxy]ethyl propane-1-sulfonate
CID 150811403
O'-amino octadecyl methanedisulfonate
CID 123961222
1-(2-chlorosulfonyloxyethoxy)-11-sulfanylundecane
CID 59422648
methane;methanedisulfonic acid;methanedisulfonyl chloride;hydrate
CID 160572260
2-methoxyethanesulfonyl chloride
CID 13480221
1-chlorosulfonyloxyoctane
CID 54334787
octyl propane-1-sulfonate
CID 19702367
2-(2-butoxyethoxy)ethyl ethanesulfonate
CID 139845349

Frequently Asked Questions

What is the IUPAC name of 2-(chlorosulfonylmethylsulfonyloxy)ethyl chlorosulfonylmethanesulfonate?
The IUPAC name of 2-(chlorosulfonylmethylsulfonyloxy)ethyl chlorosulfonylmethanesulfonate (CID 58773910) is 2-(chlorosulfonylmethylsulfonyloxy)ethyl chlorosulfonylmethanesulfonate.
What is the SMILES notation for 2-(chlorosulfonylmethylsulfonyloxy)ethyl chlorosulfonylmethanesulfonate?
The canonical SMILES for 2-(chlorosulfonylmethylsulfonyloxy)ethyl chlorosulfonylmethanesulfonate is O=S(=O)(Cl)CS(=O)(=O)OCCOS(=O)(=O)CS(=O)(=O)Cl.
What is the InChIKey of 2-(chlorosulfonylmethylsulfonyloxy)ethyl chlorosulfonylmethanesulfonate?
The InChIKey is VLAMEWOIOMFPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8Cl2O10S4/c5-17(7,8)3-19(11,12)15-1-2-16-20(13,14)4-18(6,9)10/h1-4H2.
What are the key properties of 2-(chlorosulfonylmethylsulfonyloxy)ethyl chlorosulfonylmethanesulfonate?
2-(chlorosulfonylmethylsulfonyloxy)ethyl chlorosulfonylmethanesulfonate has a molecular weight of 415.27 g/mol, XLogP of -1.27, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chlorosulfonylmethylsulfonyloxy)ethyl chlorosulfonylmethanesulfonate is sourced from PubChem (CID 58773910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).