N-(1-benzyl-6-bromo-1,2,3,4-tetrahydroquinolin-3-yl)-benzenesulfonamide

HCID 59778201

Notes Reactions

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Basic information

Standard SMILES: O=S(=O)(NC1Cc2cc(Br)ccc2N(Cc2ccccc2)C1)c1ccccc1
InChIKey: QFMPDBQXDIIOFL-UHFFFAOYSA-N
Molecular formula: C22H21BrN2O2S
Average molar mass: 457.4 g/mol

Names & identifiers

Preferred name: N-(1-benzyl-6-bromo-1,2,3,4-tetrahydroquinolin-3-yl)-benzenesulfonamide
IUPAC: N-(1-benzyl-6-bromo-3,4-dihydro-2H-quinolin-3-yl)benzenesulfonamide

Names & synonyms

SCHEMBL648863QFMPDBQXDIIOFL-UHFFFAOYSA-NN-(1-benzyl-6-bromo-1,2,3,4-tetrahydroquinolin-3-yl)-benzene-sulfonamideN-(1-benzyl-6-bromo-1,2,3,4-tetrahydroquinolin-3-yl)-benzenesulfonamide

Database identifiers

PubChem CID: 59778201

Properties

Computed structural properties

XLogP: 5
Topological polar surface area: 57.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 28
Formal charge: 0
Complexity: 596

Related reactions

10 records

New reaction record

HRID 170259As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 195583As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 1230355As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1363089As productuspto-grants-2011_02

HRID 1363094As reactantuspto-grants-2011_02

HRID 1363122As reactantuspto-grants-2011_02

HRID 1558948As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 1643869As productuspto-grants-2012_02

Compound notes

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