5-bromopyridine-3-sulfonyl chloride;ethane

C7H9BrClNO2S — CID 143729896

IUPAC5-bromopyridine-3-sulfonyl chloride;ethane
SMILESCC.O=S(=O)(Cl)c1cncc(Br)c1
InChIInChI=1S/C5H3BrClNO2S.C2H6/c6-4-1-5(3-8-2-4)11(7,9)10;1-2/h1-3H;1-2H3
InChIKeyJXUKQFHQOPLSLC-UHFFFAOYSA-N
MW286.58 g/mol
LogP2.80
Rot. Bonds1

About 5-bromopyridine-3-sulfonyl chloride;ethane

5-bromopyridine-3-sulfonyl chloride;ethane (PubChem CID 143729896) has the molecular formula C7H9BrClNO2S and a molecular weight of 286.58 g/mol. Its IUPAC name is 5-bromopyridine-3-sulfonyl chloride;ethane.

Molecular Properties

Compound Name5-bromopyridine-3-sulfonyl chloride;ethane
PubChem CID143729896
Molecular FormulaC7H9BrClNO2S
Molecular Weight286.58 g/mol
Exact Mass284.92
IUPAC Name5-bromopyridine-3-sulfonyl chloride;ethane
SMILESCC.O=S(=O)(Cl)c1cncc(Br)c1
InChIInChI=1S/C5H3BrClNO2S.C2H6/c6-4-1-5(3-8-2-4)11(7,9)10;1-2/h1-3H;1-2H3
InChIKeyJXUKQFHQOPLSLC-UHFFFAOYSA-N
XLogP2.80
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.58
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromopyridine-3-sulfonyl chloride;ethane?
The IUPAC name of 5-bromopyridine-3-sulfonyl chloride;ethane (CID 143729896) is 5-bromopyridine-3-sulfonyl chloride;ethane.
What is the SMILES notation for 5-bromopyridine-3-sulfonyl chloride;ethane?
The canonical SMILES for 5-bromopyridine-3-sulfonyl chloride;ethane is CC.O=S(=O)(Cl)c1cncc(Br)c1.
What is the InChIKey of 5-bromopyridine-3-sulfonyl chloride;ethane?
The InChIKey is JXUKQFHQOPLSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrClNO2S.C2H6/c6-4-1-5(3-8-2-4)11(7,9)10;1-2/h1-3H;1-2H3.
What are the key properties of 5-bromopyridine-3-sulfonyl chloride;ethane?
5-bromopyridine-3-sulfonyl chloride;ethane has a molecular weight of 286.58 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromopyridine-3-sulfonyl chloride;ethane is sourced from PubChem (CID 143729896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).