5,6-dichloro-1-benzofuran-2-sulfonyl chloride

C8H3Cl3O3S — CID 15158735

IUPAC5,6-dichloro-1-benzofuran-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc2cc(Cl)c(Cl)cc2o1
InChIInChI=1S/C8H3Cl3O3S/c9-5-1-4-2-8(15(11,12)13)14-7(4)3-6(5)10/h1-3H
InChIKeyKYOHHHQVLKKZPU-UHFFFAOYSA-N
MW285.54 g/mol
LogP3.67
Rot. Bonds1

About 5,6-dichloro-1-benzofuran-2-sulfonyl chloride

5,6-dichloro-1-benzofuran-2-sulfonyl chloride (PubChem CID 15158735) has the molecular formula C8H3Cl3O3S and a molecular weight of 285.54 g/mol. Its IUPAC name is 5,6-dichloro-1-benzofuran-2-sulfonyl chloride.

Molecular Properties

Compound Name5,6-dichloro-1-benzofuran-2-sulfonyl chloride
PubChem CID15158735
Molecular FormulaC8H3Cl3O3S
Molecular Weight285.54 g/mol
Exact Mass283.89
IUPAC Name5,6-dichloro-1-benzofuran-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc2cc(Cl)c(Cl)cc2o1
InChIInChI=1S/C8H3Cl3O3S/c9-5-1-4-2-8(15(11,12)13)14-7(4)3-6(5)10/h1-3H
InChIKeyKYOHHHQVLKKZPU-UHFFFAOYSA-N
XLogP3.67
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.54
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-1-benzofuran-2-sulfonyl chloride?
The IUPAC name of 5,6-dichloro-1-benzofuran-2-sulfonyl chloride (CID 15158735) is 5,6-dichloro-1-benzofuran-2-sulfonyl chloride.
What is the SMILES notation for 5,6-dichloro-1-benzofuran-2-sulfonyl chloride?
The canonical SMILES for 5,6-dichloro-1-benzofuran-2-sulfonyl chloride is O=S(=O)(Cl)c1cc2cc(Cl)c(Cl)cc2o1.
What is the InChIKey of 5,6-dichloro-1-benzofuran-2-sulfonyl chloride?
The InChIKey is KYOHHHQVLKKZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Cl3O3S/c9-5-1-4-2-8(15(11,12)13)14-7(4)3-6(5)10/h1-3H.
What are the key properties of 5,6-dichloro-1-benzofuran-2-sulfonyl chloride?
5,6-dichloro-1-benzofuran-2-sulfonyl chloride has a molecular weight of 285.54 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-1-benzofuran-2-sulfonyl chloride is sourced from PubChem (CID 15158735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).