4-[(2-Methylquinolin-4-yl)methoxy]benzenesulphonyl chloride (HCID 21963038)

Substructure search Find similar structures

Basic information

Standard SMILES: Cc1cc(COc2ccc(S(=O)(=O)Cl)cc2)c2ccccc2n1
InChIKey: OFUHNNVJGCQZFO-UHFFFAOYSA-N
Molecular formula: C17H14ClNO3S
Average molar mass: 347.8 g/mol

Names & identifiers

Preferred name: 4-[(2-Methylquinolin-4-yl)methoxy]benzenesulphonyl chloride
IUPAC: 4-[(2-methylquinolin-4-yl)methoxy]benzenesulfonyl chloride

Names & synonyms

4-[(2-methylquinolin-4-yl)methoxy]benzenesulphonyl chloride607710-13-4SCHEMBL2682726OFUHNNVJGCQZFO-UHFFFAOYSA-NDB-3053434-[(2-methyl-4-quinolinyl)methoxy]benzenesulfonyl chloride

Database identifiers

PubChem CID: 21963038

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 64.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 23
Formal charge: 0
Complexity: 485

Related reactions

11 records

New reaction record

HRID 91437As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 93910As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 110380As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 186725As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 666331As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 837120As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 1536597As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 1575808As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

Loading…