2-Chloro-5-pyridyl phenylsulfonyl acetylene

HCID 70236151
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Basic information

Standard SMILES
O=S(=O)(C#CCl)c1cccc(-c2ccccn2)c1
InChIKey
SGOQCCNCTAKHJM-UHFFFAOYSA-N
Molecular formula
C13H8ClNO2S
Average molar mass
277.73 g/mol
Monoisotopic mass
276.9964274

Names & identifiers

Preferred name
2-Chloro-5-pyridyl phenylsulfonyl acetylene
IUPAC
2-[3-(2-chloroethynylsulfonyl)phenyl]pyridine

Names & synonyms

SCHEMBL7948342SGOQCCNCTAKHJM-UHFFFAOYSA-N2-chloro-5-pyridyl phenylsulfonyl acetylene

Database identifiers

PubChem CID
70236151

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
55.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
18

Related reactions

4 records
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Compound notes

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