1,4-dioxane;methanesulfonyl chloride

C5H11ClO4S — CID 161081111

IUPAC1,4-dioxane;methanesulfonyl chloride
SMILESC1COCCO1.CS(=O)(=O)Cl
InChIInChI=1S/C4H8O2.CH3ClO2S/c1-2-6-4-3-5-1;1-5(2,3)4/h1-4H2;1H3
InChIKeyUFXQGFBJHJQPFX-UHFFFAOYSA-N
MW202.66 g/mol
LogP0.22
Rot. Bonds

About 1,4-dioxane;methanesulfonyl chloride

1,4-dioxane;methanesulfonyl chloride (PubChem CID 161081111) has the molecular formula C5H11ClO4S and a molecular weight of 202.66 g/mol. Its IUPAC name is 1,4-dioxane;methanesulfonyl chloride.

Molecular Properties

Compound Name1,4-dioxane;methanesulfonyl chloride
PubChem CID161081111
Molecular FormulaC5H11ClO4S
Molecular Weight202.66 g/mol
Exact Mass202.01
IUPAC Name1,4-dioxane;methanesulfonyl chloride
SMILESC1COCCO1.CS(=O)(=O)Cl
InChIInChI=1S/C4H8O2.CH3ClO2S/c1-2-6-4-3-5-1;1-5(2,3)4/h1-4H2;1H3
InChIKeyUFXQGFBJHJQPFX-UHFFFAOYSA-N
XLogP0.22
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.66
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-dioxane;methanesulfonyl chloride?
The IUPAC name of 1,4-dioxane;methanesulfonyl chloride (CID 161081111) is 1,4-dioxane;methanesulfonyl chloride.
What is the SMILES notation for 1,4-dioxane;methanesulfonyl chloride?
The canonical SMILES for 1,4-dioxane;methanesulfonyl chloride is C1COCCO1.CS(=O)(=O)Cl.
What is the InChIKey of 1,4-dioxane;methanesulfonyl chloride?
The InChIKey is UFXQGFBJHJQPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.CH3ClO2S/c1-2-6-4-3-5-1;1-5(2,3)4/h1-4H2;1H3.
What are the key properties of 1,4-dioxane;methanesulfonyl chloride?
1,4-dioxane;methanesulfonyl chloride has a molecular weight of 202.66 g/mol, XLogP of 0.22, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxane;methanesulfonyl chloride is sourced from PubChem (CID 161081111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).