Carzenide
4-SULFAMOYLBENZOIC ACID · Dirnate · 4-SULFAMYLBENZOIC ACID · P-SULFAMOYLBENZOIC ACID · 4-CARBOXYBENZENESULPHONAMIDE · NSC2675 · Carzenid · NSC 2675
Identifiers & Physical Properties
| CAS No. | 138-41-0 |
|---|---|
| Molecular formula | C7H7NO4S |
| Average molar mass | 201.2 g/mol |
| Monoisotopic mass | 201.00957888 g/mol |
| SMILES | NS(=O)(=O)c1ccc(C(=O)O)cc1 |
| InChIKey | UCAGLBKTLXCODC-UHFFFAOYSA-N |
| PubChem CID | 8739 |
| ChEMBL | CHEMBL414 |
| ChEBI | CHEBI:177418 |
| EC No. | 205-327-4 |
| DTXSID | DTXSID1045089 |
Chemical & Physical Properties
| XLogP | 0.5 |
|---|---|
| Topological polar surface area | 106 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 2 |
| Heavy atoms | 13 |
| Formal charge | 0 |
| Complexity | 284 |
| Melting point | 285-295 °C (lit.) |
| Boiling point | 449.0±47.0 °C(Predicted) |
| Density | 1.5083 (rough estimate) |
| Refractive index | 1.6100 (estimate) |
| Storage conditions | Sealed in dry,Room Temperature |
| Solubility | 0.5g/l453 mg/L (25 ºC) |
| Physical state | Powder |
| pKa (acidity coefficient) | 3.50(at 25℃) |
| Color | White |
| Merck | 14,1876 |
| BRN | 1875393 |
| InChI | 1S/C7H7NO4S/c8-13(11,12)6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)(H2,8,11,12) |
| InChIKey | UCAGLBKTLXCODC-UHFFFAOYSA-N |
| SMILES | O=S(C(C=C1)=CC=C1C(O)=O)(N)=O |
| CAS DataBase Reference | 138-41-0(CAS DataBase Reference) |
| EWG's Food Scores | 1 |
| FDA UNII | 30Z5HQB5A4 |
| NIST Chemistry Reference | P-sulfamoylbenzoic acid(138-41-0) |
| EPA Substance Registry System | 4-Aminosulfonylbenzoic acid (138-41-0) |
| UNSPSC Code | 12352108 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P280a-P304+P340-P305+P351+P338-P405-P501a |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type N95 (US) |
| Hazard symbols | Xn,Xi |
| Risk statements (R) | 36/37/38-20/21/22 |
| Safety statements (S) | 22-24/25-36/37/39-26-36 |
| Water hazard class (WGK) | 3 |
| RTECS number | DH6820000 |
| TSCA inventory status | TSCA listed |
| Hazard class | IRRITANT |
| Customs code | 29163990 |
| Storage class | 11 - Combustible Solids |
| Toxicity | LD50 i.p. in rats: 350 ± 22 mg/kg (Appenroth, Brunlich) |
Safety & Regulations
| Personal protective equipment (PPE) | Eyeshields, Gloves, type N95 (US) |
|---|---|
| Water hazard class (WGK) | 3 |
| TSCA inventory status | TSCA listed |
| RTECS number | DH6820000 |
| Customs code | 29163990 |
| Toxicity | LD50 i.p. in rats: 350 ± 22 mg/kg (Appenroth, Brunlich) |
| Risk statements (R) | 36/37/38-20/21/22 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xn,Xi |
| Safety statements (S) | 22-24/25-36/37/39-26-36 |
| Hazard class | IRRITANT |
| Storage class | 11 - Combustible Solids |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P280a-P304+P340-P305+P351+P338-P405-P501a |
Applications & Uses
Description
4-Sulfamoylbenzoic acid is a significant class of compounds extensively investigated for their potential applications across various disciplines. Characterized by a nitrogen-containing ring structure, 4-Sulfamoylbenzoic acid is a heterocyclic compound adorned with diverse substituents encircling the ring. Within the body, 4-Sulfamoylbenzoic acid is an agonist for several receptors, including those for serotonin and dopamine. By forming connections with these receptors, 4-Sulfamoylbenzoic acid proficiently modulates their functionality, consequently inducing changes in receptor behavior. This, in turn, precipitates an array of effects contingent upon the specific receptor and the studied drug.
Uses
diuretic, carbonic anhydrase inhibitor
Uses
4-Sulfamoylbenzoic Acid (Carzenide) is used as a reagent in the synthesis of carbonic anhydrase inhibitors anticonvulsant agents.