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

C9H9ClO3S — CID 83895355

IUPAC2-methyl-2,3-dihydro-1-benzofuran-7-sulfonyl chloride
SMILESCC1Cc2cccc(S(=O)(=O)Cl)c2O1
InChIInChI=1S/C9H9ClO3S/c1-6-5-7-3-2-4-8(9(7)13-6)14(10,11)12/h2-4,6H,5H2,1H3
InChIKeyUJNZZQZYEYIKOX-UHFFFAOYSA-N
MW232.69 g/mol
LogP1.94
Rot. Bonds1

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

2-methyl-2,3-dihydro-1-benzofuran-7-sulfonyl chloride (PubChem CID 83895355) has the molecular formula C9H9ClO3S and a molecular weight of 232.69 g/mol. Its IUPAC name is 2-methyl-2,3-dihydro-1-benzofuran-7-sulfonyl chloride.

Molecular Properties

Compound Name2-methyl-2,3-dihydro-1-benzofuran-7-sulfonyl chloride
PubChem CID83895355
Molecular FormulaC9H9ClO3S
Molecular Weight232.69 g/mol
Exact Mass232.00
IUPAC Name2-methyl-2,3-dihydro-1-benzofuran-7-sulfonyl chloride
SMILESCC1Cc2cccc(S(=O)(=O)Cl)c2O1
InChIInChI=1S/C9H9ClO3S/c1-6-5-7-3-2-4-8(9(7)13-6)14(10,11)12/h2-4,6H,5H2,1H3
InChIKeyUJNZZQZYEYIKOX-UHFFFAOYSA-N
XLogP1.94
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.69
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2,3-dihydro-1-benzofuran-7-sulfonyl chloride?
The IUPAC name of 2-methyl-2,3-dihydro-1-benzofuran-7-sulfonyl chloride (CID 83895355) is 2-methyl-2,3-dihydro-1-benzofuran-7-sulfonyl chloride.
What is the SMILES notation for 2-methyl-2,3-dihydro-1-benzofuran-7-sulfonyl chloride?
The canonical SMILES for 2-methyl-2,3-dihydro-1-benzofuran-7-sulfonyl chloride is CC1Cc2cccc(S(=O)(=O)Cl)c2O1.
What is the InChIKey of 2-methyl-2,3-dihydro-1-benzofuran-7-sulfonyl chloride?
The InChIKey is UJNZZQZYEYIKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO3S/c1-6-5-7-3-2-4-8(9(7)13-6)14(10,11)12/h2-4,6H,5H2,1H3.
What are the key properties of 2-methyl-2,3-dihydro-1-benzofuran-7-sulfonyl chloride?
2-methyl-2,3-dihydro-1-benzofuran-7-sulfonyl chloride has a molecular weight of 232.69 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,3-dihydro-1-benzofuran-7-sulfonyl chloride is sourced from PubChem (CID 83895355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).