3-bromo-7-fluoro-1-benzofuran-2-sulfonyl chloride

C8H3BrClFO3S — CID 15158736

IUPAC3-bromo-7-fluoro-1-benzofuran-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1oc2c(F)cccc2c1Br
InChIInChI=1S/C8H3BrClFO3S/c9-6-4-2-1-3-5(11)7(4)14-8(6)15(10,12)13/h1-3H
InChIKeyVVDAIYYJZZDKJA-UHFFFAOYSA-N
MW313.53 g/mol
LogP3.26
Rot. Bonds1

About 3-bromo-7-fluoro-1-benzofuran-2-sulfonyl chloride

3-bromo-7-fluoro-1-benzofuran-2-sulfonyl chloride (PubChem CID 15158736) has the molecular formula C8H3BrClFO3S and a molecular weight of 313.53 g/mol. Its IUPAC name is 3-bromo-7-fluoro-1-benzofuran-2-sulfonyl chloride.

Molecular Properties

Compound Name3-bromo-7-fluoro-1-benzofuran-2-sulfonyl chloride
PubChem CID15158736
Molecular FormulaC8H3BrClFO3S
Molecular Weight313.53 g/mol
Exact Mass311.87
IUPAC Name3-bromo-7-fluoro-1-benzofuran-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1oc2c(F)cccc2c1Br
InChIInChI=1S/C8H3BrClFO3S/c9-6-4-2-1-3-5(11)7(4)14-8(6)15(10,12)13/h1-3H
InChIKeyVVDAIYYJZZDKJA-UHFFFAOYSA-N
XLogP3.26
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.53
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-fluoro-1-benzofuran-2-sulfonyl chloride?
The IUPAC name of 3-bromo-7-fluoro-1-benzofuran-2-sulfonyl chloride (CID 15158736) is 3-bromo-7-fluoro-1-benzofuran-2-sulfonyl chloride.
What is the SMILES notation for 3-bromo-7-fluoro-1-benzofuran-2-sulfonyl chloride?
The canonical SMILES for 3-bromo-7-fluoro-1-benzofuran-2-sulfonyl chloride is O=S(=O)(Cl)c1oc2c(F)cccc2c1Br.
What is the InChIKey of 3-bromo-7-fluoro-1-benzofuran-2-sulfonyl chloride?
The InChIKey is VVDAIYYJZZDKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrClFO3S/c9-6-4-2-1-3-5(11)7(4)14-8(6)15(10,12)13/h1-3H.
What are the key properties of 3-bromo-7-fluoro-1-benzofuran-2-sulfonyl chloride?
3-bromo-7-fluoro-1-benzofuran-2-sulfonyl chloride has a molecular weight of 313.53 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-fluoro-1-benzofuran-2-sulfonyl chloride is sourced from PubChem (CID 15158736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).