n-(2-Chloro-5-(4-chloro-6-quinolinyl)-3-pyridinyl)methanesulfonamide

HCID 44608919

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CS(=O)(=O)Nc1cc(-c2ccc3nccc(Cl)c3c2)cnc1Cl
InChIKey: YNYDYBOPRMQAPZ-UHFFFAOYSA-N
Molecular formula: C15H11Cl2N3O2S
Average molar mass: 368.2 g/mol

Names & identifiers

Preferred name: n-(2-Chloro-5-(4-chloro-6-quinolinyl)-3-pyridinyl)methanesulfonamide
IUPAC: N-[2-chloro-5-(4-chloroquinolin-6-yl)-3-pyridinyl]methanesulfonamide

Names & synonyms

n-(2-chloro-5-(4-chloro-6-quinolinyl)-3-pyridinyl)methanesulfonamide1201841-78-2SCHEMBL1543410YNYDYBOPRMQAPZ-UHFFFAOYSA-NDB-221300N-(2-chloro-5-(4-chloroquinolin-6-yl)pyridin-3-yl)methanesulfonamide

Database identifiers

PubChem CID: 44608919

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 80.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 23
Formal charge: 0
Complexity: 513

Related reactions

2 records

New reaction record

HRID 212581As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 1963792As reactantuspto-grants-2013_04

Compound notes

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