4-Chloroisoquinoline-5-sulfonyl chloride

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Basic information

CAS: 194032-34-3
Standard SMILES: O=S(=O)(Cl)c1cccc2cncc(Cl)c12
InChIKey: IVRAWSOJSGNOIC-UHFFFAOYSA-N
Molecular formula: C9H5Cl2NO2S
Average molar mass: 262.11 g/mol
Monoisotopic mass: 260.94180476

Names & identifiers

Preferred name: 4-Chloroisoquinoline-5-sulfonyl chloride
IUPAC: 4-chloroisoquinoline-5-sulfonyl chloride

Names & synonyms

4-CHLOROISOQUINOLINE-5-SULFONYL CHLORIDE194032-34-3SCHEMBL2001999DTXSID50622615IVRAWSOJSGNOIC-UHFFFAOYSA-N4-chloro-5-chlorosulfonylisoquinoline4-chloro-5-isoquinolinesulfonyl chloride

Database identifiers

CAS: 194032-34-3
PubChem CID: 22121908
DTXSID: DTXSID50622615

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 55.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 15
Formal charge: 0
Complexity: 327

Related reactions

16 records

New reaction record

HRID 303094As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 1137593As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1436034As reactantuspto-grants-2009_11

HRID 1436041As reactantuspto-grants-2009_11

HRID 1436042As reactantuspto-grants-2009_11

HRID 1549445As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 1858913As reactantuspto-grants-2000_11

HRID 1962439As reactantuspto-grants-2013_04

Compound notes

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