2-(1,4-dioxan-2-yl)ethanesulfonyl chloride

C6H11ClO4S — CID 131424063

IUPAC2-(1,4-dioxan-2-yl)ethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCC1COCCO1
InChIInChI=1S/C6H11ClO4S/c7-12(8,9)4-1-6-5-10-2-3-11-6/h6H,1-5H2
InChIKeyVGHNTASRZCVPIN-UHFFFAOYSA-N
MW214.67 g/mol
LogP0.36
Rot. Bonds3

About 2-(1,4-dioxan-2-yl)ethanesulfonyl chloride

2-(1,4-dioxan-2-yl)ethanesulfonyl chloride (PubChem CID 131424063) has the molecular formula C6H11ClO4S and a molecular weight of 214.67 g/mol. Its IUPAC name is 2-(1,4-dioxan-2-yl)ethanesulfonyl chloride.

Molecular Properties

Compound Name2-(1,4-dioxan-2-yl)ethanesulfonyl chloride
PubChem CID131424063
Molecular FormulaC6H11ClO4S
Molecular Weight214.67 g/mol
Exact Mass214.01
IUPAC Name2-(1,4-dioxan-2-yl)ethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCC1COCCO1
InChIInChI=1S/C6H11ClO4S/c7-12(8,9)4-1-6-5-10-2-3-11-6/h6H,1-5H2
InChIKeyVGHNTASRZCVPIN-UHFFFAOYSA-N
XLogP0.36
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.67
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxan-2-yl)ethanesulfonyl chloride?
The IUPAC name of 2-(1,4-dioxan-2-yl)ethanesulfonyl chloride (CID 131424063) is 2-(1,4-dioxan-2-yl)ethanesulfonyl chloride.
What is the SMILES notation for 2-(1,4-dioxan-2-yl)ethanesulfonyl chloride?
The canonical SMILES for 2-(1,4-dioxan-2-yl)ethanesulfonyl chloride is O=S(=O)(Cl)CCC1COCCO1.
What is the InChIKey of 2-(1,4-dioxan-2-yl)ethanesulfonyl chloride?
The InChIKey is VGHNTASRZCVPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClO4S/c7-12(8,9)4-1-6-5-10-2-3-11-6/h6H,1-5H2.
What are the key properties of 2-(1,4-dioxan-2-yl)ethanesulfonyl chloride?
2-(1,4-dioxan-2-yl)ethanesulfonyl chloride has a molecular weight of 214.67 g/mol, XLogP of 0.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxan-2-yl)ethanesulfonyl chloride is sourced from PubChem (CID 131424063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).