5-bromo-2-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride

C9H6BrClN2O4S — CID 82909687

IUPAC5-bromo-2-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Br)ccc1OCc1ncon1
InChIInChI=1S/C9H6BrClN2O4S/c10-6-1-2-7(8(3-6)18(11,14)15)16-4-9-12-5-17-13-9/h1-3,5H,4H2
InChIKeyXLFUTEVGGPKTJS-UHFFFAOYSA-N
MW353.58 g/mol
LogP2.34
Rot. Bonds4

About 5-bromo-2-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride

5-bromo-2-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride (PubChem CID 82909687) has the molecular formula C9H6BrClN2O4S and a molecular weight of 353.58 g/mol. Its IUPAC name is 5-bromo-2-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name5-bromo-2-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride
PubChem CID82909687
Molecular FormulaC9H6BrClN2O4S
Molecular Weight353.58 g/mol
Exact Mass351.89
IUPAC Name5-bromo-2-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Br)ccc1OCc1ncon1
InChIInChI=1S/C9H6BrClN2O4S/c10-6-1-2-7(8(3-6)18(11,14)15)16-4-9-12-5-17-13-9/h1-3,5H,4H2
InChIKeyXLFUTEVGGPKTJS-UHFFFAOYSA-N
XLogP2.34
TPSA82.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.58
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride?
The IUPAC name of 5-bromo-2-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride (CID 82909687) is 5-bromo-2-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride.
What is the SMILES notation for 5-bromo-2-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride?
The canonical SMILES for 5-bromo-2-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride is O=S(=O)(Cl)c1cc(Br)ccc1OCc1ncon1.
What is the InChIKey of 5-bromo-2-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride?
The InChIKey is XLFUTEVGGPKTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClN2O4S/c10-6-1-2-7(8(3-6)18(11,14)15)16-4-9-12-5-17-13-9/h1-3,5H,4H2.
What are the key properties of 5-bromo-2-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride?
5-bromo-2-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride has a molecular weight of 353.58 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride is sourced from PubChem (CID 82909687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).