Methylbenzenesulfonamide
fo-93af51d6a3414086
Identity
- Type
- MolecularComplex
- CAS
- 1333-07-9
- EC
- 215-578-1
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.
Alternative labels
7- ar-Methylbenzenesulfonamide
- ar-Toluenesulfonamide
- Benzenesulfonamide, ar-methyl-
- Ketjenflex 15
- Ketjenflex 3
- Ketjenflex 7
- Toluenesulfonamide
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | KCTLGSREBLDQRJ-UHFFFAOYSA-N, VXGAPBLISGTEKE-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/2C7H9NO2S/c1-6-2-4-7(5-3-6)11(8,9)10;1-6-4-2-3-5-7(6)11(8,9)10/h2*2-5H,1H3,(H2,8,9,10), InChI=1S/C6H7NO2S.CH4/c7-10(8,9)6-4-2-1-3-5-6;/h1-5H,(H2,7,8,9);1H4 |
| IUPAC name chemrof:IUPAC_name | 2-methylbenzenesulfonamide;4-methylbenzenesulfonamide, benzenesulfonamide;methane |
| Molecular formula chemrof:molecular_formula | C14H18N2O4S2, C7H11NO2S |
| SMILES string chemrof:smiles_string | C.C1=CC=C(C=C1)S(=O)(=O)N, CC1=CC=C(C=C1)S(=O)(=O)N.CC1=CC=CC=C1S(=O)(=O)N |
Known URLs
3Where 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=1333-07-9 | enrich_references.consensus_cas_link |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/19385235 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/69536424 | enrich_references.pubchem_compound |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| fef14aa8-60ee-4877-88da-e549023d1fa9 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| b6403433-93c3-4ff1-b371-2fe19d3eadbf | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 73d18ece-a030-473f-902d-152901756831 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 79655ac1-c04d-44c3-a49b-1abf69c50a43 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 8c87311c-663f-4e63-a836-1a07a698c24e | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 0d5440f1-4f6f-441e-a7fe-883da4ab80a5 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| af369a0c-9553-4e4c-856a-f379c4139767 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| f85b532f-7925-49ba-ace6-92f8981ae8c4 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| e86235fc-9fe6-42e8-b686-19d522bf461a | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 009bd151-3422-4f07-bf28-bac3ea5cbe30 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 15312d89-e95c-4bd8-9c52-af0e4243923e | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| ac444ae9-6076-4dbf-a277-44b93da449ed | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 790913ce-d42e-4a08-a71f-3b5a85245815 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (54 changes)
Full record
Flow object JSON
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