7-bromo-1-benzofuran-5-sulfonyl chloride

C8H4BrClO3S — CID 87894516

IUPAC7-bromo-1-benzofuran-5-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Br)c2occc2c1
InChIInChI=1S/C8H4BrClO3S/c9-7-4-6(14(10,11)12)3-5-1-2-13-8(5)7/h1-4H
InChIKeyNTTINJGRKDGVRX-UHFFFAOYSA-N
MW295.54 g/mol
LogP3.12
Rot. Bonds1

About 7-bromo-1-benzofuran-5-sulfonyl chloride

7-bromo-1-benzofuran-5-sulfonyl chloride (PubChem CID 87894516) has the molecular formula C8H4BrClO3S and a molecular weight of 295.54 g/mol. Its IUPAC name is 7-bromo-1-benzofuran-5-sulfonyl chloride.

Molecular Properties

Compound Name7-bromo-1-benzofuran-5-sulfonyl chloride
PubChem CID87894516
Molecular FormulaC8H4BrClO3S
Molecular Weight295.54 g/mol
Exact Mass293.88
IUPAC Name7-bromo-1-benzofuran-5-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Br)c2occc2c1
InChIInChI=1S/C8H4BrClO3S/c9-7-4-6(14(10,11)12)3-5-1-2-13-8(5)7/h1-4H
InChIKeyNTTINJGRKDGVRX-UHFFFAOYSA-N
XLogP3.12
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.54
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-Bromo-1-benzofuran
CID 113628
7-Bromo-5-fluoro-1-benzofuran
CID 22144816
7-Bromo-6-fluoro-1-benzofuran
CID 22144929
1-Benzofuran-7-sulfonyl chloride
CID 49762852
1-Benzofuran-3-sulfonyl chloride
CID 55279079
3-Methyl-1-benzofuran-5-sulfonyl chloride
CID 82390792
3-Bromo-2-benzofuransulfonyl chloride
CID 15158648
5-Bromo-1-benzofuran-2-sulfonyl fluoride
CID 155820979
3-Bromo-7-fluoro-2-benzofuransulfonyl chloride
CID 15158736
7-Bromo-5-fluoro-3-(3-fluoro-benzyl)-benzofuran-2-sulfonyl chloride
CID 59344922
7-Bromo-3-(trifluoromethylsulfanyl)-1-benzofuran
CID 176298395
5-Bromo-3-methylsulfinyl-1-benzofuran
CID 123759504

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-benzofuran-5-sulfonyl chloride?
The IUPAC name of 7-bromo-1-benzofuran-5-sulfonyl chloride (CID 87894516) is 7-bromo-1-benzofuran-5-sulfonyl chloride.
What is the SMILES notation for 7-bromo-1-benzofuran-5-sulfonyl chloride?
The canonical SMILES for 7-bromo-1-benzofuran-5-sulfonyl chloride is O=S(=O)(Cl)c1cc(Br)c2occc2c1.
What is the InChIKey of 7-bromo-1-benzofuran-5-sulfonyl chloride?
The InChIKey is NTTINJGRKDGVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClO3S/c9-7-4-6(14(10,11)12)3-5-1-2-13-8(5)7/h1-4H.
What are the key properties of 7-bromo-1-benzofuran-5-sulfonyl chloride?
7-bromo-1-benzofuran-5-sulfonyl chloride has a molecular weight of 295.54 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-benzofuran-5-sulfonyl chloride is sourced from PubChem (CID 87894516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).