<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">80373</id>
  <title nil="true"/>
  <common-name>Benzenesulfonamide, 3-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-</common-name>
  <description>Benzenesulfonamide, 3-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)- belongs to the benzenesulfonamides, a subclass of benzene and substituted derivatives within the organic compounds. It is a member of the benzenoids superclass with the formula C10H11N3O3S1 and an average molecular weight of 253.28 g/mol.</description>
  <cas>89-29-2</cas>
  <pubchem-id>66634</pubchem-id>
  <chemical-formula>C10H11N3O3S1</chemical-formula>
  <weight>253.28</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">2026-04-04T15:45:32Z</created-at>
  <updated-at type="dateTime">2026-08-17T22:34:39Z</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=NN(C(=O)C1)C1=CC=CC(=C1)S(N)(=O)=O</moldb-smiles>
  <moldb-formula>C10H11N3O3S1</moldb-formula>
  <moldb-inchi>InChI=1S/C10H11N3O3S/c1-7-5-10(14)13(12-7)8-3-2-4-9(6-8)17(11,15)16/h2-4,6H,5H2,1H3,(H2,11,15,16)</moldb-inchi>
  <moldb-inchikey>ASVVGQURNHNITH-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">253.28</moldb-average-mass>
  <moldb-mono-mass type="decimal">253.052112</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>-0.2</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>60001</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>CHEM076266</chemdb-id>
  <dsstox-id>DTXSID0058984</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00039319</susdat-id>
  <iupac>3-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonamide</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">1</paper-count>
  <sync-id>CED0070663</sync-id>
  <structure-inchikey>ASVVGQURNHNITH-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>100000000000000000000000000000021000000020000002000000000000000000000000000000000000000000000000120000000000010000020080000000000000000000000000000000002000000004000000000100000000000020100000000000000000000000001004040000000800000000000000000011000000400000000000000000000000000020000000000000000080000000000000000000000080000000000000000000008080000000100000000000000000000000000002000000200000000000000000042000000000040000000000000000000400000000000000020000008</structure-fingerprint>
  <structure-pattern-fingerprint>51000010098386008100044401087802001814000105200020b420408220004d448a0050108000000000410800800000042000a4808c32410200643101a04000c4110420021014818090100000e202080000058051011a3240000422400208000c380c078048020260040000d4940280208280100901c0047138122002310002024000180cd402080c040200082c0008191c08124c4014020200080000404084404300000004c00080104940057c211002c80000894108401800021008400210810020a404c8101a018000040401028004800010020050200d410804080001009008081000200004200000014112200222100830a042001e4208008050100406</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAARAAAAEgAAAIABBgBgAAAAAQMGACgAAAAD
BAcAKAAAAAMDBwAoAAAAAwMGACgAAAADBAgAKAAAAAMCBgBgAAAAAgIGQCgA
AAADBAZAaAAAAAMDAQZAaAAAAAMDAQZAaAAAAAMDAQZAKAAAAAMEBkBoAAAA
AwMBEAAgAAAABgcAYAAAAAECCAAoAAAAAwIIACgAAAADAgsAAQABAigCAgMg
AwQgBAUoAgQGAAMHIAcIaAwICWgMCQpoDAoLaAwLDGgMCw0ADQ4ADQ8IAg0Q
CAIGAQAMB2gMQgIAAAAFAQIDBAYGCAkKCwwHFwQAAAAAAAAAFg==
</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:27:17Z</structure-indexed-at>
</compound>
