(5-bromofuran-2-yl)methanesulfonyl chloride

C5H4BrClO3S — CID 165443178

IUPAC(5-bromofuran-2-yl)methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1ccc(Br)o1
InChIInChI=1S/C5H4BrClO3S/c6-5-2-1-4(10-5)3-11(7,8)9/h1-2H,3H2
InChIKeyJYMGEWLMKLGKJA-UHFFFAOYSA-N
MW259.51 g/mol
LogP2.11
Rot. Bonds2

About (5-bromofuran-2-yl)methanesulfonyl chloride

(5-bromofuran-2-yl)methanesulfonyl chloride (PubChem CID 165443178) has the molecular formula C5H4BrClO3S and a molecular weight of 259.51 g/mol. Its IUPAC name is (5-bromofuran-2-yl)methanesulfonyl chloride.

Molecular Properties

Compound Name(5-bromofuran-2-yl)methanesulfonyl chloride
PubChem CID165443178
Molecular FormulaC5H4BrClO3S
Molecular Weight259.51 g/mol
Exact Mass257.88
IUPAC Name(5-bromofuran-2-yl)methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1ccc(Br)o1
InChIInChI=1S/C5H4BrClO3S/c6-5-2-1-4(10-5)3-11(7,8)9/h1-2H,3H2
InChIKeyJYMGEWLMKLGKJA-UHFFFAOYSA-N
XLogP2.11
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.51
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)methanesulfonyl chloride?
The IUPAC name of (5-bromofuran-2-yl)methanesulfonyl chloride (CID 165443178) is (5-bromofuran-2-yl)methanesulfonyl chloride.
What is the SMILES notation for (5-bromofuran-2-yl)methanesulfonyl chloride?
The canonical SMILES for (5-bromofuran-2-yl)methanesulfonyl chloride is O=S(=O)(Cl)Cc1ccc(Br)o1.
What is the InChIKey of (5-bromofuran-2-yl)methanesulfonyl chloride?
The InChIKey is JYMGEWLMKLGKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrClO3S/c6-5-2-1-4(10-5)3-11(7,8)9/h1-2H,3H2.
What are the key properties of (5-bromofuran-2-yl)methanesulfonyl chloride?
(5-bromofuran-2-yl)methanesulfonyl chloride has a molecular weight of 259.51 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)methanesulfonyl chloride is sourced from PubChem (CID 165443178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).