oxan-4-ylmethanesulfonyl chloride

C6H11ClO3S — CID 18348392

IUPACoxan-4-ylmethanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1CCOCC1
InChIInChI=1S/C6H11ClO3S/c7-11(8,9)5-6-1-3-10-4-2-6/h6H,1-5H2
InChIKeyAFFJSWVSULCYLG-UHFFFAOYSA-N
MW198.67 g/mol
LogP0.98
Rot. Bonds2

About oxan-4-ylmethanesulfonyl chloride

oxan-4-ylmethanesulfonyl chloride (PubChem CID 18348392) has the molecular formula C6H11ClO3S and a molecular weight of 198.67 g/mol. Its IUPAC name is oxan-4-ylmethanesulfonyl chloride.

Molecular Properties

Compound Nameoxan-4-ylmethanesulfonyl chloride
PubChem CID18348392
Molecular FormulaC6H11ClO3S
Molecular Weight198.67 g/mol
Exact Mass198.01
IUPAC Nameoxan-4-ylmethanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1CCOCC1
InChIInChI=1S/C6H11ClO3S/c7-11(8,9)5-6-1-3-10-4-2-6/h6H,1-5H2
InChIKeyAFFJSWVSULCYLG-UHFFFAOYSA-N
XLogP0.98
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.67
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(Oxan-4-yl)methanesulfonamide
CID 18348472
Oxane-4-sulfonyl chloride
CID 22637030
Oxane-3-sulfonyl chloride
CID 53484596
Oxan-3-ylmethanesulfonyl chloride
CID 54595496
(Oxan-4-yl)methanesulfonyl fluoride
CID 56828043
5-Methoxy-3-methylpentane-1-sulfonyl chloride
CID 65664720
2-(Oxan-4-yl)ethane-1-sulfonamide
CID 71649239
3-(Oxan-4-yl)propane-1-sulfonyl chloride
CID 83709845
2-(Oxan-4-yl)ethane-1-sulfonyl chloride
CID 86775610
(3-Methyloxan-3-yl)methanesulfonylchloride
CID 105466432
(4-Fluorooxan-4-yl)methanesulfonyl chloride
CID 119031497
2-(Oxan-3-yl)ethane-1-sulfonyl chloride
CID 130757865

Frequently Asked Questions

What is the IUPAC name of oxan-4-ylmethanesulfonyl chloride?
The IUPAC name of oxan-4-ylmethanesulfonyl chloride (CID 18348392) is oxan-4-ylmethanesulfonyl chloride.
What is the SMILES notation for oxan-4-ylmethanesulfonyl chloride?
The canonical SMILES for oxan-4-ylmethanesulfonyl chloride is O=S(=O)(Cl)CC1CCOCC1.
What is the InChIKey of oxan-4-ylmethanesulfonyl chloride?
The InChIKey is AFFJSWVSULCYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClO3S/c7-11(8,9)5-6-1-3-10-4-2-6/h6H,1-5H2.
What are the key properties of oxan-4-ylmethanesulfonyl chloride?
oxan-4-ylmethanesulfonyl chloride has a molecular weight of 198.67 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-ylmethanesulfonyl chloride is sourced from PubChem (CID 18348392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).