1-[(2,4,6-Trimethylphenyl)sulfonyl]-1,2,3,4-tetrahydroquinoline

HCID 669093

Notes Reactions

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Basic information

CAS: 326899-59-6
Standard SMILES: Cc1cc(C)c(S(=O)(=O)N2CCCc3ccccc32)c(C)c1
InChIKey: YDUJUUVGZIPXJO-UHFFFAOYSA-N
Molecular formula: C18H21NO2S
Average molar mass: 315.4 g/mol
Monoisotopic mass: 315.12930009

Names & identifiers

Preferred name: 1-[(2,4,6-Trimethylphenyl)sulfonyl]-1,2,3,4-tetrahydroquinoline
IUPAC: 1-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline

Names & synonyms

1-[(2,4,6-trimethylphenyl)sulfonyl]-1,2,3,4-tetrahydroquinoline326899-59-61-(2,4,6-Trimethylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroquinolineTimTec1_002986Oprea1_243408Oprea1_712385MLS001203278CHEMBL14069951-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-2H-quinolineDTXSID801321653HMS1542H16HMS2823G12

Show more names

1-(2,4,6-Trimethyl-benzenesulfonyl)-1,2,3,4-tetrahydro-quinolineSTK036693AKOS000595745WAY-271373SMR000514998ST042651VU0016380-2AB00082825-01

Database identifiers

CAS: 326899-59-6
PubChem CID: 669093
DTXSID: DTXSID801321653
ChEMBL: CHEMBL1406995
Nikkaji: J3.178.821H

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 45.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 22
Formal charge: 0
Complexity: 472

Experimental & physicochemical properties

Solubility1.8 [ug/mL] (The mean of the results at pH 7.4)

Related reactions

1 records

New reaction record

HRID 1031314As product39 compound library from "Building a Sulfonamide Library by Eco-Friendly Flow Synthesis"

Compound notes

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