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

C8H6BrClO3S — CID 2794799

IUPAC5-bromo-2,3-dihydro-1-benzofuran-7-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Br)cc2c1OCC2
InChIInChI=1S/C8H6BrClO3S/c9-6-3-5-1-2-13-8(5)7(4-6)14(10,11)12/h3-4H,1-2H2
InChIKeyWDCSWTWTTAMPFJ-UHFFFAOYSA-N
MW297.56 g/mol
LogP2.31
Rot. Bonds1

About 5-bromo-2,3-dihydro-1-benzofuran-7-sulfonyl chloride

5-bromo-2,3-dihydro-1-benzofuran-7-sulfonyl chloride (PubChem CID 2794799) has the molecular formula C8H6BrClO3S and a molecular weight of 297.56 g/mol. Its IUPAC name is 5-bromo-2,3-dihydro-1-benzofuran-7-sulfonyl chloride.

Molecular Properties

Compound Name5-bromo-2,3-dihydro-1-benzofuran-7-sulfonyl chloride
PubChem CID2794799
Molecular FormulaC8H6BrClO3S
Molecular Weight297.56 g/mol
Exact Mass295.89
IUPAC Name5-bromo-2,3-dihydro-1-benzofuran-7-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Br)cc2c1OCC2
InChIInChI=1S/C8H6BrClO3S/c9-6-3-5-1-2-13-8(5)7(4-6)14(10,11)12/h3-4H,1-2H2
InChIKeyWDCSWTWTTAMPFJ-UHFFFAOYSA-N
XLogP2.31
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.56
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,3-dihydro-1-benzofuran-7-sulfonyl chloride?
The IUPAC name of 5-bromo-2,3-dihydro-1-benzofuran-7-sulfonyl chloride (CID 2794799) is 5-bromo-2,3-dihydro-1-benzofuran-7-sulfonyl chloride.
What is the SMILES notation for 5-bromo-2,3-dihydro-1-benzofuran-7-sulfonyl chloride?
The canonical SMILES for 5-bromo-2,3-dihydro-1-benzofuran-7-sulfonyl chloride is O=S(=O)(Cl)c1cc(Br)cc2c1OCC2.
What is the InChIKey of 5-bromo-2,3-dihydro-1-benzofuran-7-sulfonyl chloride?
The InChIKey is WDCSWTWTTAMPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClO3S/c9-6-3-5-1-2-13-8(5)7(4-6)14(10,11)12/h3-4H,1-2H2.
What are the key properties of 5-bromo-2,3-dihydro-1-benzofuran-7-sulfonyl chloride?
5-bromo-2,3-dihydro-1-benzofuran-7-sulfonyl chloride has a molecular weight of 297.56 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,3-dihydro-1-benzofuran-7-sulfonyl chloride is sourced from PubChem (CID 2794799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).