2-(oxan-4-yl)ethanesulfonyl chloride

C7H13ClO3S — CID 86775610

IUPAC2-(oxan-4-yl)ethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCC1CCOCC1
InChIInChI=1S/C7H13ClO3S/c8-12(9,10)6-3-7-1-4-11-5-2-7/h7H,1-6H2
InChIKeyJSHCTCDANFZBLV-UHFFFAOYSA-N
MW212.70 g/mol
LogP1.37
Rot. Bonds3

About 2-(oxan-4-yl)ethanesulfonyl chloride

2-(oxan-4-yl)ethanesulfonyl chloride (PubChem CID 86775610) has the molecular formula C7H13ClO3S and a molecular weight of 212.70 g/mol. Its IUPAC name is 2-(oxan-4-yl)ethanesulfonyl chloride.

Molecular Properties

Compound Name2-(oxan-4-yl)ethanesulfonyl chloride
PubChem CID86775610
Molecular FormulaC7H13ClO3S
Molecular Weight212.70 g/mol
Exact Mass212.03
IUPAC Name2-(oxan-4-yl)ethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCC1CCOCC1
InChIInChI=1S/C7H13ClO3S/c8-12(9,10)6-3-7-1-4-11-5-2-7/h7H,1-6H2
InChIKeyJSHCTCDANFZBLV-UHFFFAOYSA-N
XLogP1.37
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.70
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)ethanesulfonyl chloride?
The IUPAC name of 2-(oxan-4-yl)ethanesulfonyl chloride (CID 86775610) is 2-(oxan-4-yl)ethanesulfonyl chloride.
What is the SMILES notation for 2-(oxan-4-yl)ethanesulfonyl chloride?
The canonical SMILES for 2-(oxan-4-yl)ethanesulfonyl chloride is O=S(=O)(Cl)CCC1CCOCC1.
What is the InChIKey of 2-(oxan-4-yl)ethanesulfonyl chloride?
The InChIKey is JSHCTCDANFZBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClO3S/c8-12(9,10)6-3-7-1-4-11-5-2-7/h7H,1-6H2.
What are the key properties of 2-(oxan-4-yl)ethanesulfonyl chloride?
2-(oxan-4-yl)ethanesulfonyl chloride has a molecular weight of 212.70 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)ethanesulfonyl chloride is sourced from PubChem (CID 86775610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).