2-(oxan-3-yl)ethanesulfonyl chloride

C7H13ClO3S — CID 130757865

IUPAC2-(oxan-3-yl)ethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCC1CCCOC1
InChIInChI=1S/C7H13ClO3S/c8-12(9,10)5-3-7-2-1-4-11-6-7/h7H,1-6H2
InChIKeyNVTPDZBZTJLKSZ-UHFFFAOYSA-N
MW212.70 g/mol
LogP1.37
Rot. Bonds3

About 2-(oxan-3-yl)ethanesulfonyl chloride

2-(oxan-3-yl)ethanesulfonyl chloride (PubChem CID 130757865) has the molecular formula C7H13ClO3S and a molecular weight of 212.70 g/mol. Its IUPAC name is 2-(oxan-3-yl)ethanesulfonyl chloride.

Molecular Properties

Compound Name2-(oxan-3-yl)ethanesulfonyl chloride
PubChem CID130757865
Molecular FormulaC7H13ClO3S
Molecular Weight212.70 g/mol
Exact Mass212.03
IUPAC Name2-(oxan-3-yl)ethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCC1CCCOC1
InChIInChI=1S/C7H13ClO3S/c8-12(9,10)5-3-7-2-1-4-11-6-7/h7H,1-6H2
InChIKeyNVTPDZBZTJLKSZ-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

Analyze 2-(oxan-3-yl)ethanesulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-3-yl)ethanesulfonyl chloride?
The IUPAC name of 2-(oxan-3-yl)ethanesulfonyl chloride (CID 130757865) is 2-(oxan-3-yl)ethanesulfonyl chloride.
What is the SMILES notation for 2-(oxan-3-yl)ethanesulfonyl chloride?
The canonical SMILES for 2-(oxan-3-yl)ethanesulfonyl chloride is O=S(=O)(Cl)CCC1CCCOC1.
What is the InChIKey of 2-(oxan-3-yl)ethanesulfonyl chloride?
The InChIKey is NVTPDZBZTJLKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClO3S/c8-12(9,10)5-3-7-2-1-4-11-6-7/h7H,1-6H2.
What are the key properties of 2-(oxan-3-yl)ethanesulfonyl chloride?
2-(oxan-3-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-3-yl)ethanesulfonyl chloride is sourced from PubChem (CID 130757865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).