4-acetamidobenzenesulfonyl Chloride
fo-5dbd5fb9bbd39dee
Identity
- Type
- Neutral molecule
- CAS
- 121-60-8
- EC
- 204-485-1
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
21- 4-(Acetylamino)benzenesulfonyl chloride
- 4-(Acetylamino)phenylsulfonyl chloride
- 4-Acetamidobenzene-1-sulfonyl chloride
- 4-Acetamidophenylsulfonyl chloride
- 4-Chlorosulfonylacetanilide
- 4′-(Chlorosulfonyl)acetanilide
- Acetanilide-p-sulfonyl chloride
- ASC
- ASC (acetylsulfanilyl chloride)
- Benzenesulfonyl chloride, 4-(acetylamino)-
- Dagenan chloride
- N-(4-Chlorosulfonylphenyl)acetamide
- N-Acetyl-p-aminobenzenesulfonyl chloride
- N-Acetylsulfanilyl chloride
- N4-Acetylsulfanilyl chloride
- p-(Acetylamino)benzenesulfonyl chloride
- p-(Chlorosulfonyl)acetanilide
- p-Acetamidobenzenesulfonyl chloride
- p-Acetamidophenylsulfonyl chloride
- p-Acetylaminophenylsulfonyl chloride
- Sulfanilyl chloride, N-acetyl-
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | GRDXCFKBQWDAJH-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C8H8ClNO3S/c1-6(11)10-7-2-4-8(5-3-7)14(9,12)13/h2-5H,1H3,(H,10,11) |
| IUPAC name chemrof:IUPAC_name | 4-acetamidobenzenesulfonyl Chloride |
| Molecular formula chemrof:molecular_formula | C8H8ClNO3S |
| Molecular mass chemrof:molecular_mass | 233.676 |
| Monoisotopic mass chemrof:monoisotopic_mass | 232.991342 |
| SMILES string chemrof:smiles_string | CC(=O)Nc1ccc(S(=O)(=O)Cl)cc1 |
Known URLs
13Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=121-60-8 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.004.078 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID8026981 | enrich_references.pubchem_identifier_url |
| drugbank.ca | https://www.drugbank.ca/drugs/DB12337 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=127860 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3185390 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/LIX4M9AIVM | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.341D | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=153343 | enrich_references.pubchem_identifier_url |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL3185390 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/8481 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=020191 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q26841247 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| d67faa9f-ef02-430c-b1e5-af4fb52d9244 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| ac9ac4f2-5260-4147-bc5e-02762be14f2f | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 53a13384-5dab-4bec-a045-0ef19d2fdf17 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 774ce922-f224-4e08-9658-73f9d8845ab7 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 5e7a4082-8686-462e-ac33-56050ed9eded | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 1fa06bbc-1b77-445d-be74-40c94b653ea6 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| febaf2a1-fa17-4947-93d9-aee88ff4740f | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| f894d87b-42f0-4cee-9edc-9b55ffa7c08c | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| a28efd24-975a-42c0-b471-f67db72f35ea | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 7934eceb-2490-42ce-9350-4dd233882d49 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 96341129-71f6-4a70-bd1b-3a8f7f439d06 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 68cab938-7212-402a-999d-29ae7f5b7db7 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| a85e90cd-d41b-49c7-a6c2-ca427dc65ddc | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (55 changes)
Full record
Flow object JSON
{
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}Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works