327008 <common-name>5-[(6-benzyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline</common-name> <description>5-[(6-benzyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline is a chemical compound with the formula C21H23N3O2S. It has an average molecular weight of 381.50 g/mol.</description> <cas>105628-00-0</cas> <pubchem-id>3064775</pubchem-id> <chemical-formula>C21H23N3O2S</chemical-formula> <weight>381.5</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-08-30T05:41:55Z</created-at> <updated-at type="dateTime">2026-08-30T05:41:55Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>C1CN(CC(CN1)CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4</moldb-smiles> <moldb-formula>C21H23N3O2S</moldb-formula> <moldb-inchi>InChI=1S/C21H23N3O2S/c25-27(26,21-8-4-7-19-15-22-10-9-20(19)21)24-12-11-23-14-18(16-24)13-17-5-2-1-3-6-17/h1-10,15,18,23H,11-14,16H2</moldb-inchi> <moldb-inchikey>FOHHXQVBNAWSRY-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">381.1510982</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.8</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM322901</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>5-[(6-benzyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Organoheterocyclic compounds</superklass> <klass>Isoquinolines and derivatives</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0277620</sync-id> <structure-inchikey>FOHHXQVBNAWSRY-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4000000000000800000000000000000000000000000000000000000000000000000004020000000020000002004800000000000040020020000000000000000000000000000400000000000000160000000000000000000001000000000000000800000000000000000880002000000020100000000000000800000100001000000200001800000200000000000000000000100800000000000000000000000080000000000040008080000000080000000008020088000000000000100000000000020001000000000000000000000000000000000000624000000000000000000000001002040000000000000000000000000000000000008000008</structure-fingerprint> 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