Benzoic acid,4-[(diethylamino)sulfonyl]- supplier

Name
N,N-DIETHYL-4-SULFAMOYLBENZOIC ACID
EINECS 214-925-4
CAS No. 1213-06-5
Article Data11
CAS DataBase
Density 1.283 g/cm³
Solubility
Melting Point 192-194° (with turbidity)
Formula C₁₁H₁₅NO₄S
Boiling Point 416.5 °C at 760 mmHg
Molecular Weight 257.31
Flash Point 205.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzoicacid, p-(diethylsulfamoyl)- (6CI,7CI,8CI);4-Carboxy-N,N-diethylbenzenesulfonamide;4-Diethylsulfamoylbenzoic acid;4-[(Diethylamino)sulfonyl]benzoic acid;Etamid;Etebenecid;Ethamide;Ethebenecid;Ethebenecide;Longacid;N,N-Diethyl-p-sulfamoylbenzoic acid;NSC49467;Urelim;p-(Diethylsulfamoyl)benzoic acid;p-Carboxy-N,N-diethylbenzenesulfonamide;p-Diethylsulfamylbenzoic acid;
PSA 83.06000
LogP 2.49610

Benzoic acid,4-[(diethylamino)sulfonyl]- Specification

The Benzoic acid,4-[(diethylamino)sulfonyl]-, with the CAS registry number 1213-06-5, is also known as 4-[(Diethylamino)sulfonyl]benzoic acid. This chemical's molecular formula is C₁₁H₁₅NO₄S and molecular weight is 257.31. What's more, its systematic name is 4-(Diethylsulfamoyl)benzoic acid and its EINECS number is 214-925-4. Besides, its classification code is Drug / Therapeutic Agent.

Physical properties of Benzoic acid,4-[(diethylamino)sulfonyl]- are: (1)ACD/LogP: 2.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.35; (4)ACD/LogD (pH 7.4): -0.83; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.04; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 72.06 Å²; (13)Index of Refraction: 1.553; (14)Molar Refractivity: 64.24 cm³; (15)Molar Volume: 200.5 cm³; (16)Polarizability: 25.46×10^-24cm³; (17)Surface Tension: 48.9 dyne/cm; (18)Density: 1.283 g/cm³; (19)Flash Point: 205.7 °C; (20)Enthalpy of Vaporization: 70.61 kJ/mol; (21)Boiling Point: 416.5 °C at 760 mmHg; (22)Vapour Pressure: 1.11E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)O
(2)InChI: InChI=1S/C11H15NO4S/c1-3-12(4-2)17(15,16)10-7-5-9(6-8-10)11(13)14/h5-8H,3-4H2,1-2H3,(H,13,14)
(3)InChIKey: UACOQEQOBAQRDQ-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	intraperitoneal	96 mg/kg (96 mg/kg)		Pharmazie. Vol. 38, Pg. 102, 1983.

Product Name

N,N-DIETHYL-4-SULFAMOYLBENZOIC ACID

Benzoic acid,4-[(diethylamino)sulfonyl]- Specification

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