<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">71648</id>
  <title nil="true"/>
  <common-name>Benzenesulfonamide, N-(2-hydroxyethyl)-2,3-dimethyl-5-nitro-</common-name>
  <description>Benzenesulfonamide, N-(2-hydroxyethyl)-2,3-dimethyl-5-nitro- belongs to the benzenesulfonamides, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the chemical formula C10H14N2O5S1 and an average molecular weight of 274.29 g/mol.</description>
  <cas>25959-70-0</cas>
  <pubchem-id>117680</pubchem-id>
  <chemical-formula>C10H14N2O5S1</chemical-formula>
  <weight>274.3</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">2026-04-03T19:36:11Z</created-at>
  <updated-at type="dateTime">2026-08-26T18:20:27Z</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>CC1=CC(=CC(=C1C)S(=O)(=O)NCCO)[N+]([O-])=O</moldb-smiles>
  <moldb-formula>C10H14N2O5S1</moldb-formula>
  <moldb-inchi>InChI=1S/C10H14N2O5S/c1-7-5-9(12(14)15)6-10(8(7)2)18(16,17)11-3-4-13/h5-6,11,13H,3-4H2,1-2H3</moldb-inchi>
  <moldb-inchikey>MIBWEBONCRNTAY-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">274.29</moldb-average-mass>
  <moldb-mono-mass type="decimal">274.062342</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>0.8</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>105164</chemspider-id>
  <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>CHEM067541</chemdb-id>
  <dsstox-id>DTXSID2067161</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00028002</susdat-id>
  <iupac>N-(2-hydroxyethyl)-2,3-dimethyl-5-nitrobenzenesulfonamide</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>Benzenoids</superklass>
  <klass>Benzene and substituted derivatives</klass>
  <subklass>Benzenesulfonamides</subklass>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0177304</sync-id>
  <structure-inchikey>MIBWEBONCRNTAY-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000000200000000100000000000000002000000080000000000000000000000020000000000800000000000000000004000080200000000000000000000000000000000000020001000000000001010080000400000000000010000000200000000100000000000000000000000000000000000000000000040000000000000000000000082000000001000000000000000000020100000000000000000000000080900000080000000000000080000000000000000000000000000000000002000000000000000000000002000000000000000000000400000000000002040000000000000000000001000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAASAAAAEgAAAIABBgBgAAAAAQMGQCgAAAAD
BAZAaAAAAAMDAQZAKAAAAAMEBkBoAAAAAwMBBkAoAAAAAwQGQCgAAAADBAYA
YAAAAAEDEAAgAAAABggAKAAAAAMCCAAoAAAAAwIHAGAAAAACAQYAYAAAAAIC
BgBgAAAAAgIIAGAAAAABAQcgKgAAAAEDBAggKgAAAP8DAQgAKAAAAAMCCwAB
AAECaAwCA2gMAwRoDAQFaAwFBmgMBgcABQgACAkIAggKCAIICwALDAAMDQAN
DgADDyAPECAPESgCBgFoDEIBAAAABgEGBQQDAhcEAAAAAAAAABY=
</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:20:50Z</structure-indexed-at>
</compound>
