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Basic Description
| Synonyms | 3-nitrophenyl sulphonamide | Z45415557 | m-nitrobenzolsulfonamid | 3-Nitrobenzolesulfamide | SCHEMBL11689478 | 3-Nitrobenzenesulfonamide, 99% | SY021865 | AKOS000139907 | Benzenesulfonamide, 3-nitro- | FT-0631694 | m-Nitrobenzenesulphonamide | Benzenesulf |
|---|---|
| Specifications & Purity | ≥98% |
| Shipped In | Normal |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
- Subclass Benzenesulfonamides
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzenesulfonamides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzenesulfonamides |
| Alternative Parents | Nitrobenzenes Benzenesulfonyl compounds Nitroaromatic compounds Organosulfonamides Aminosulfonyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzenesulfonamide - Nitrobenzene - Benzenesulfonyl group - Nitroaromatic compound - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - C-nitro compound - Organic nitro compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring. |
| External Descriptors | Not available |
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Associated Targets(Human)
CA5A
Tclin
Carbonic anhydrase 5A, mitochondrial (1 Activities)
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
CA2
Tclin
Carbonic anhydrase 2 (1 Activities)
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
CA2
Tclin
Carbonic anhydrase II (17698 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
CA5A
Tclin
Carbonic anhydrase VA (1168 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Associated Targets(non-human)
Carbonic anhydrase (69 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Names and Identifiers
| Pubchem Sid | 488183900 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488183900 |
| IUPAC Name | 3-nitrobenzenesulfonamide |
| INCHI | InChI=1S/C6H6N2O4S/c7-13(11,12)6-3-1-2-5(4-6)8(9)10/h1-4H,(H2,7,11,12) |
| InChIKey | TXTQURPQLVHJRE-UHFFFAOYSA-N |
| Smiles | C1=CC(=CC(=C1)S(=O)(=O)N)[N+](=O)[O-] |
| Isomeric SMILES | C1=CC(=CC(=C1)S(=O)(=O)N)[N+](=O)[O-] |
| WGK Germany | 3 |
| Molecular Weight | 202.18 |
| Beilstein | 11(4)183 |
| Reaxy-Rn | 2214217 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2214217&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 G2415159 |
Certificate of Analysis | Apr 27, 2024 | N122531 |
| G2415160 |
Certificate of Analysis | Apr 27, 2024 | N122531 |
| G2415161 |
Certificate of Analysis | Apr 27, 2024 | N122531 |
| G1501108 |
Certificate of Analysis | Mar 10, 2023 | N122531 |
| D2321366 |
Certificate of Analysis | Dec 04, 2021 | N122531 |
Chemical and Physical Properties
| Melt Point(°C) | 166-168°C |
|---|---|
| Molecular Weight | 202.190 g/mol |
| XLogP3 | 0.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 202.005 Da |
| Monoisotopic Mass | 202.005 Da |
| Topological Polar Surface Area | 114.000 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 289.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
Solution Calculators
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