2-hydroxyethyl chloromethylsulfonylmethanesulfonate

C4H9ClO6S2 — CID 146292498

IUPAC2-hydroxyethyl chloromethylsulfonylmethanesulfonate
SMILESO=S(=O)(CCl)CS(=O)(=O)OCCO
InChIInChI=1S/C4H9ClO6S2/c5-3-12(7,8)4-13(9,10)11-2-1-6/h6H,1-4H2
InChIKeyFOJHHMPBDYOUSL-UHFFFAOYSA-N
MW252.70 g/mol
LogP-1.11
Rot. Bonds6

About 2-hydroxyethyl chloromethylsulfonylmethanesulfonate

2-hydroxyethyl chloromethylsulfonylmethanesulfonate (PubChem CID 146292498) has the molecular formula C4H9ClO6S2 and a molecular weight of 252.70 g/mol. Its IUPAC name is 2-hydroxyethyl chloromethylsulfonylmethanesulfonate.

Molecular Properties

Compound Name2-hydroxyethyl chloromethylsulfonylmethanesulfonate
PubChem CID146292498
Molecular FormulaC4H9ClO6S2
Molecular Weight252.70 g/mol
Exact Mass251.95
IUPAC Name2-hydroxyethyl chloromethylsulfonylmethanesulfonate
SMILESO=S(=O)(CCl)CS(=O)(=O)OCCO
InChIInChI=1S/C4H9ClO6S2/c5-3-12(7,8)4-13(9,10)11-2-1-6/h6H,1-4H2
InChIKeyFOJHHMPBDYOUSL-UHFFFAOYSA-N
XLogP-1.11
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 5-1.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(chlorosulfonylmethylsulfonyloxy)ethyl chlorosulfonylmethanesulfonate
CID 58773910
hydron;2-hydroxyethyl sulfate
CID 173263896
1-hydroxy-2-sulfosulfonyloxyethane
CID 150256319
sodium 2-chloroethoxysulfonylmethanesulfonate
CID 90661210
2-hydroxyethyl sulfanyl sulfate
CID 155762422
azane;2-hydroxyethyl methyl sulfate
CID 87122976
2-hydroxyethyl N,N-bis(2-hydroxyethyl)sulfamate
CID 19028458
bis[2-(2-hydroxyethoxy)ethyl] sulfate
CID 139845365
2-hydroxyethyl hydrogen sulfate;N-methylethanamine
CID 175477371
butoxysulfonylmethanesulfonic acid
CID 151818041
3-(5-hydroxypentoxysulfonyl)propanoic acid
CID 174633083
2-(2-hydroxyethoxy)ethyl butane-1-sulfonate
CID 154161522

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl chloromethylsulfonylmethanesulfonate?
The IUPAC name of 2-hydroxyethyl chloromethylsulfonylmethanesulfonate (CID 146292498) is 2-hydroxyethyl chloromethylsulfonylmethanesulfonate.
What is the SMILES notation for 2-hydroxyethyl chloromethylsulfonylmethanesulfonate?
The canonical SMILES for 2-hydroxyethyl chloromethylsulfonylmethanesulfonate is O=S(=O)(CCl)CS(=O)(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl chloromethylsulfonylmethanesulfonate?
The InChIKey is FOJHHMPBDYOUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9ClO6S2/c5-3-12(7,8)4-13(9,10)11-2-1-6/h6H,1-4H2.
What are the key properties of 2-hydroxyethyl chloromethylsulfonylmethanesulfonate?
2-hydroxyethyl chloromethylsulfonylmethanesulfonate has a molecular weight of 252.70 g/mol, XLogP of -1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl chloromethylsulfonylmethanesulfonate is sourced from PubChem (CID 146292498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).