5-bromopyridine-2-sulfonyl chloride

C5H3BrClNO2S — CID 44558097

IUPAC5-bromopyridine-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(Br)cn1
InChIInChI=1S/C5H3BrClNO2S/c6-4-1-2-5(8-3-4)11(7,9)10/h1-3H
InChIKeyCZPJXSLJOVFCOH-UHFFFAOYSA-N
MW256.51 g/mol
LogP1.77
Rot. Bonds1

About 5-bromopyridine-2-sulfonyl chloride

5-bromopyridine-2-sulfonyl chloride (PubChem CID 44558097) has the molecular formula C5H3BrClNO2S and a molecular weight of 256.51 g/mol. Its IUPAC name is 5-bromopyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name5-bromopyridine-2-sulfonyl chloride
PubChem CID44558097
Molecular FormulaC5H3BrClNO2S
Molecular Weight256.51 g/mol
Exact Mass254.88
IUPAC Name5-bromopyridine-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(Br)cn1
InChIInChI=1S/C5H3BrClNO2S/c6-4-1-2-5(8-3-4)11(7,9)10/h1-3H
InChIKeyCZPJXSLJOVFCOH-UHFFFAOYSA-N
XLogP1.77
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.51
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromopyridine-2-sulfonyl chloride?
The IUPAC name of 5-bromopyridine-2-sulfonyl chloride (CID 44558097) is 5-bromopyridine-2-sulfonyl chloride.
What is the SMILES notation for 5-bromopyridine-2-sulfonyl chloride?
The canonical SMILES for 5-bromopyridine-2-sulfonyl chloride is O=S(=O)(Cl)c1ccc(Br)cn1.
What is the InChIKey of 5-bromopyridine-2-sulfonyl chloride?
The InChIKey is CZPJXSLJOVFCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrClNO2S/c6-4-1-2-5(8-3-4)11(7,9)10/h1-3H.
What are the key properties of 5-bromopyridine-2-sulfonyl chloride?
5-bromopyridine-2-sulfonyl chloride has a molecular weight of 256.51 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromopyridine-2-sulfonyl chloride is sourced from PubChem (CID 44558097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).