Carzenide (HCID 8739)

Names & identifiers

Preferred name: Carzenide
IUPAC: 4-sulfamoylbenzoic acid
English name: Carzenide
Molecular formula: C7H7NO4S
Molecular weight: 201.2

Names & synonyms

Carzenide138-41-04-Carboxybenzenesulfonamide4-(Aminosulfonyl)benzoic acidCarzenidDirnatep-Sulfamoylbenzoic acidCarzenidaCarzenidumNSC-229764-sulfamolybenzoic acidCarcenida

Show more names

4-SULFAMYLBENZOIC ACID4-CARBOXYBENZENESULPHONAMIDENSC2675NSC 2675NSC-2675

DTXSID104508930Z5HQB5A4DTXCID9025089p-sulphamoylbenzoic acidRefChem:574766205-327-4sulfamoylbenzoic acid4-Sulfamoylbenzoic acid

Database identifiers

CAS: 138-41-0
PubChem CID: 8739
DTXSID: DTXSID1045089
ChEMBL: CHEMBL414
ChEBI: CHEBI:177418
UNII: 30Z5HQB5A4
EC Number: 205-327-4、937-141-0
Nikkaji: J5.633B

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 106 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 284

Physicochemical properties

Melting point: 285 · 285-295 °C (lit.)
Boiling point: 449 · 449.0±47.0 °C(Predicted)
Density: 1.5083 · 1.5083 (rough estimate)
refractive index: 1.61 · 1.6100 (estimate)
storage temp.: Sealed in dry,Room Temperature
solubility: 0.5 g/l · 0.5g/l
form: Powder
pka: 3.5 · 3.50(at 25℃)
color: White
Water Solubility: 453 mg/L · 453 mg/L (25 ºC)
Merck: 14 · 14,1876
BRN: 1875393 · 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 · 138-41-0(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 30 Z5HQB5A4 · 30Z5HQB5A4
NIST Chemistry Reference: P-sulfamoylbenzoic acid(138-41-0)
EPA Substance Registry System: 4 · 4-Aminosulfonylbenzoic acid (138-41-0)
UNSPSC Code: 12352108 · 12352108
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Hazard Codes: Xn,Xi
Risk Statements: 36 · 36/37/38-20/21/22
Safety Statements: 22 · 22-24/25-36/37/39-26-36
WGK Germany: 3 · 3
RTECS: 6820000 · DH6820000
TSCA: TSCA listed
HazardClass: IRRITANT
HS Code: 29163990 · 29163990
Storage Class: 11 · 11 - Combustible Solids
Toxicity: 50 i.p · LD50 i.p. in rats: 350 ± 22 mg/kg (Appenroth, Brunlich)

Safety & regulation

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
tsca: TSCA listed
rtecs: DH6820000
hs_code: 29163990
Toxicity: LD50 i.p. in rats: 350 ± 22 mg/kg (Appenroth, Brunlich)
risk_code: 36/37/38-20/21/22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn,Xi
safety_code: 22-24/25-36/37/39-26-36
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H319-H335
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Applications · 3 items

Description4-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.

Usesdiuretic, carbonic anhydrase inhibitor

Uses4-Sulfamoylbenzoic Acid (Carzenide) is used as a reagent in the synthesis of carbonic anhydrase inhibitors anticonvulsant agents.