spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-ylmethanesulfonyl chloride

C11H11ClO4S — CID 84713957

IUPACspiro[1,3-benzodioxole-2,1'-cyclobutane]-5-ylmethanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1ccc2c(c1)OC1(CCC1)O2
InChIInChI=1S/C11H11ClO4S/c12-17(13,14)7-8-2-3-9-10(6-8)16-11(15-9)4-1-5-11/h2-3,6H,1,4-5,7H2
InChIKeyBUYWLOADEQBULZ-UHFFFAOYSA-N
MW274.72 g/mol
LogP2.41
Rot. Bonds2

About spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-ylmethanesulfonyl chloride

spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-ylmethanesulfonyl chloride (PubChem CID 84713957) has the molecular formula C11H11ClO4S and a molecular weight of 274.72 g/mol. Its IUPAC name is spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-ylmethanesulfonyl chloride.

Molecular Properties

Compound Namespiro[1,3-benzodioxole-2,1'-cyclobutane]-5-ylmethanesulfonyl chloride
PubChem CID84713957
Molecular FormulaC11H11ClO4S
Molecular Weight274.72 g/mol
Exact Mass274.01
IUPAC Namespiro[1,3-benzodioxole-2,1'-cyclobutane]-5-ylmethanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1ccc2c(c1)OC1(CCC1)O2
InChIInChI=1S/C11H11ClO4S/c12-17(13,14)7-8-2-3-9-10(6-8)16-11(15-9)4-1-5-11/h2-3,6H,1,4-5,7H2
InChIKeyBUYWLOADEQBULZ-UHFFFAOYSA-N
XLogP2.41
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.72
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-ylmethanesulfonyl chloride?
The IUPAC name of spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-ylmethanesulfonyl chloride (CID 84713957) is spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-ylmethanesulfonyl chloride.
What is the SMILES notation for spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-ylmethanesulfonyl chloride?
The canonical SMILES for spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-ylmethanesulfonyl chloride is O=S(=O)(Cl)Cc1ccc2c(c1)OC1(CCC1)O2.
What is the InChIKey of spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-ylmethanesulfonyl chloride?
The InChIKey is BUYWLOADEQBULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO4S/c12-17(13,14)7-8-2-3-9-10(6-8)16-11(15-9)4-1-5-11/h2-3,6H,1,4-5,7H2.
What are the key properties of spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-ylmethanesulfonyl chloride?
spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-ylmethanesulfonyl chloride has a molecular weight of 274.72 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-ylmethanesulfonyl chloride is sourced from PubChem (CID 84713957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).