5-bromo-1-benzofuran-2-sulfonyl fluoride

C8H4BrFO3S — CID 155820979

IUPAC5-bromo-1-benzofuran-2-sulfonyl fluoride
SMILESO=S(=O)(F)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C8H4BrFO3S/c9-6-1-2-7-5(3-6)4-8(13-7)14(10,11)12/h1-4H
InChIKeyKKTWXMKKQPYWHP-UHFFFAOYSA-N
MW279.09 g/mol
LogP2.85
Rot. Bonds1

About 5-bromo-1-benzofuran-2-sulfonyl fluoride

5-bromo-1-benzofuran-2-sulfonyl fluoride (PubChem CID 155820979) has the molecular formula C8H4BrFO3S and a molecular weight of 279.09 g/mol. Its IUPAC name is 5-bromo-1-benzofuran-2-sulfonyl fluoride.

Molecular Properties

Compound Name5-bromo-1-benzofuran-2-sulfonyl fluoride
PubChem CID155820979
Molecular FormulaC8H4BrFO3S
Molecular Weight279.09 g/mol
Exact Mass277.90
IUPAC Name5-bromo-1-benzofuran-2-sulfonyl fluoride
SMILESO=S(=O)(F)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C8H4BrFO3S/c9-6-1-2-7-5(3-6)4-8(13-7)14(10,11)12/h1-4H
InChIKeyKKTWXMKKQPYWHP-UHFFFAOYSA-N
XLogP2.85
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.09
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-benzofuran-2-sulfonyl fluoride?
The IUPAC name of 5-bromo-1-benzofuran-2-sulfonyl fluoride (CID 155820979) is 5-bromo-1-benzofuran-2-sulfonyl fluoride.
What is the SMILES notation for 5-bromo-1-benzofuran-2-sulfonyl fluoride?
The canonical SMILES for 5-bromo-1-benzofuran-2-sulfonyl fluoride is O=S(=O)(F)c1cc2cc(Br)ccc2o1.
What is the InChIKey of 5-bromo-1-benzofuran-2-sulfonyl fluoride?
The InChIKey is KKTWXMKKQPYWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrFO3S/c9-6-1-2-7-5(3-6)4-8(13-7)14(10,11)12/h1-4H.
What are the key properties of 5-bromo-1-benzofuran-2-sulfonyl fluoride?
5-bromo-1-benzofuran-2-sulfonyl fluoride has a molecular weight of 279.09 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-benzofuran-2-sulfonyl fluoride is sourced from PubChem (CID 155820979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).