2,3-dihydro-1-benzofuran-5-sulfonyl chloride

C8H7ClO3S — CID 2776154

IUPAC2,3-dihydro-1-benzofuran-5-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc2c(c1)CCO2
InChIInChI=1S/C8H7ClO3S/c9-13(10,11)7-1-2-8-6(5-7)3-4-12-8/h1-2,5H,3-4H2
InChIKeyRVWYPBARHGPULM-UHFFFAOYSA-N
MW218.66 g/mol
LogP1.55
Rot. Bonds1

About 2,3-dihydro-1-benzofuran-5-sulfonyl chloride

2,3-dihydro-1-benzofuran-5-sulfonyl chloride (PubChem CID 2776154) has the molecular formula C8H7ClO3S and a molecular weight of 218.66 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-5-sulfonyl chloride.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-5-sulfonyl chloride
PubChem CID2776154
Molecular FormulaC8H7ClO3S
Molecular Weight218.66 g/mol
Exact Mass217.98
IUPAC Name2,3-dihydro-1-benzofuran-5-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc2c(c1)CCO2
InChIInChI=1S/C8H7ClO3S/c9-13(10,11)7-1-2-8-6(5-7)3-4-12-8/h1-2,5H,3-4H2
InChIKeyRVWYPBARHGPULM-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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Related Compounds

3,4-dihydro-2H-chromene-6-sulfonyl chloride;ethane
CID 123201735
5-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzofuran
CID 23543562
1,4-bis(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-1,4-diazepane
CID 55511916
N-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)cyclohexyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 55361585
1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidine-3,4-diol
CID 106672599
3,4-dihydro-2H-chromene-6-sulfonic acid
CID 22471808
2-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-2-methylpropan-1-amine
CID 116855219
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51177885
N-(2,4-dichlorophenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 110344403
N-butan-2-yl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 60647656
N-(2-aminoethyl)-N-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 62688441
N-(4-methyloxan-4-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 138044685

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-5-sulfonyl chloride?
The IUPAC name of 2,3-dihydro-1-benzofuran-5-sulfonyl chloride (CID 2776154) is 2,3-dihydro-1-benzofuran-5-sulfonyl chloride.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-5-sulfonyl chloride?
The canonical SMILES for 2,3-dihydro-1-benzofuran-5-sulfonyl chloride is O=S(=O)(Cl)c1ccc2c(c1)CCO2.
What is the InChIKey of 2,3-dihydro-1-benzofuran-5-sulfonyl chloride?
The InChIKey is RVWYPBARHGPULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClO3S/c9-13(10,11)7-1-2-8-6(5-7)3-4-12-8/h1-2,5H,3-4H2.
What are the key properties of 2,3-dihydro-1-benzofuran-5-sulfonyl chloride?
2,3-dihydro-1-benzofuran-5-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-5-sulfonyl chloride is sourced from PubChem (CID 2776154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).