2,3-dihydro-1-benzofuran-7-sulfonyl chloride

C8H7ClO3S — CID 18616199

IUPAC2,3-dihydro-1-benzofuran-7-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc2c1OCC2
InChIInChI=1S/C8H7ClO3S/c9-13(10,11)7-3-1-2-6-4-5-12-8(6)7/h1-3H,4-5H2
InChIKeyUNECAYDZDLGSLP-UHFFFAOYSA-N
MW218.66 g/mol
LogP1.55
Rot. Bonds1

About 2,3-dihydro-1-benzofuran-7-sulfonyl chloride

2,3-dihydro-1-benzofuran-7-sulfonyl chloride (PubChem CID 18616199) has the molecular formula C8H7ClO3S and a molecular weight of 218.66 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-7-sulfonyl chloride.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-7-sulfonyl chloride
PubChem CID18616199
Molecular FormulaC8H7ClO3S
Molecular Weight218.66 g/mol
Exact Mass217.98
IUPAC Name2,3-dihydro-1-benzofuran-7-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc2c1OCC2
InChIInChI=1S/C8H7ClO3S/c9-13(10,11)7-3-1-2-6-4-5-12-8(6)7/h1-3H,4-5H2
InChIKeyUNECAYDZDLGSLP-UHFFFAOYSA-N
XLogP1.55
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.66
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-7-sulfonyl chloride?
The IUPAC name of 2,3-dihydro-1-benzofuran-7-sulfonyl chloride (CID 18616199) is 2,3-dihydro-1-benzofuran-7-sulfonyl chloride.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-7-sulfonyl chloride?
The canonical SMILES for 2,3-dihydro-1-benzofuran-7-sulfonyl chloride is O=S(=O)(Cl)c1cccc2c1OCC2.
What is the InChIKey of 2,3-dihydro-1-benzofuran-7-sulfonyl chloride?
The InChIKey is UNECAYDZDLGSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClO3S/c9-13(10,11)7-3-1-2-6-4-5-12-8(6)7/h1-3H,4-5H2.
What are the key properties of 2,3-dihydro-1-benzofuran-7-sulfonyl chloride?
2,3-dihydro-1-benzofuran-7-sulfonyl chloride has a molecular weight of 218.66 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-7-sulfonyl chloride is sourced from PubChem (CID 18616199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).