HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4'-Sulfamoylacetanilid
acetylsulfanilamide · p-acetamidobenzenesulfonamide · N-(4-SULFAMOYL-PHENYL)-ACETAMIDE · a-319 · erytrin · neotherapol · Acetylsulfamine · Acetsulfanilamide
Identifikatoren & physikalische Daten
| CAS No. | 121-61-9 |
|---|---|
| Summenformel | C8H10N2O3S |
| Durchschnittliche Molmasse | 214,24 g/mol |
| Monoisotopische Masse | 214,04121318 g/mol |
| SMILES | CC(=O)Nc1ccc(S(N)(=O)=O)cc1 |
| InChIKey | PKOFBDHYTMYVGJ-UHFFFAOYSA-N |
| PubChem CID | 8482 |
| ChEMBL | CHEMBL687 |
| EC No. | 204-486-7 |
| DTXSID | DTXSID4041529 |
| Lokaler Name | 4'-Sulfamoylacetanilid |
Chemische & physikalische Eigenschaften
| XLogP | 0 |
|---|---|
| Polarare Oberfläche (TPSA) | 97,6 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 299 |
| Arzneimittel | Pharmaceuticals -> Antibiotics |
| Pestizide | Environmental transformation -> Pesticide transformation products (metabolite, successor) |
| LogP (Verteilungskoeffizient) | 0.0 |
| Schmelzpunkt | 214-217 °C |
| Siedepunkt | 418.91℃[at 101 325 Pa] |
| Dichte | 1.3844 (rough estimate) |
| Dampfdruck | 0Pa at 25℃ |
| Brechungsindex | 1.5690 (estimate) |
| Lagerbedingungen | Room Temperature |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly)slightly soluble |
| pKa (Säurekonstante) | 9.88±0.12(Predicted) |
| Aggregatzustand | Solid |
| Farbe | White to Off-White |
| InChIKey | PKOFBDHYTMYVGJ-UHFFFAOYSA-N |
| LogP (Verteilungskoeffizient) | -0.04 |
| CAS Datenbank | 121-61-9(CAS DataBase Reference) |
| EPA chemische Informationen | 4'-Sulfamylacetanilide (121-61-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 50% (2 of 4) of reports.WarningH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Regulation (EC) No 1107/2009 (amended)Status: Cease Manufacture Update: 04-08-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20041 |
| Hazard Classes and Categories | Acute Tox. 4 (50%) |
| Zollcode | 2935909099 |
| RTECS-Nr. | AE7015000 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 24/25 |
Anwendungen & Verwendung
Verwenden
4-Acetamidobenzenesulfonamide has been used as an inhibitor of mitochondrial isoenzyme carbonic anhydrase V inhibitiors. Vullo, Daniela