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53297-68-0

Basic Information
CAS No.: 53297-68-0
Name: Benzenesulfonamide,4-amino-3-chloro-
Article Data: 8
Cas Database
Molecular Structure:
Molecular Structure of 53297-68-0 (Benzenesulfonamide,4-amino-3-chloro-)
Formula: C6H7ClN2O2S
Molecular Weight: 206.653
Synonyms: Sulfanilamide,3-chloro- (6CI);2-Chloro-4-sulfamoylaniline;4-Amino-3-chlorobenzenesulfonamide;
EINECS: N/A
Density: 1.558 g/cm3
Melting Point: 161 °C
Boiling Point: 414.4 °C at 760 mmHg
Flash Point: 204.4 °C
Solubility: N/A
Appearance: N/A
Hazard Symbols: N/A
Risk Codes: N/A
Safety:
Transport Information: N/A
PSA: 94.56000
LogP: 2.93190
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    Product Name: 2-CHLORO-4-SULFAMOYLANILINE CAS: 53297-68-0 MF: C6H7ClN2O2S MW: 206.65 EINECS: Mol File: 53297-68-0.mol 2-CHLORO-4-SULFAMOYLANILINE Structure 2-CHLORO-4-SULFAMOYLANILINE Chemical Properties Melting point 161 &de

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Specification

The CAS registry number of Benzenesulfonamide,4-amino-3-chloro- is 53297-68-0. It belongs to the product category of Pharmacetical. This chemical is also named as 2-Chloro-4-sulfamoylaniline. In addition, its molecular formula is C6H7ClN2O2S and molecular weight is 206.65. Its systematic name and IUPAC name are the same which is called 4-amino-3-chlorobenzenesulfonamide.

Physical properties about Benzenesulfonamide,4-amino-3-chloro- are: (1)ACD/LogP: 0.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.62; (4)ACD/LogD (pH 7.4): 0.62; (5)ACD/BCF (pH 5.5): 1.75; (6)ACD/BCF (pH 7.4): 1.75; (7)ACD/KOC (pH 5.5): 51.94; (8)ACD/KOC (pH 7.4): 51.84; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.637; (13)Molar Refractivity: 47.63 cm3; (14)Molar Volume: 132.6 cm3; (15)Surface Tension: 66 dyne/cm; (16)Density: 1.558 g/cm3; (17)Flash Point: 204.4 °C; (18)Enthalpy of Vaporization: 66.73 kJ/mol; (19)Boiling Point: 414.4 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(ccc1N)S(=O)(=O)N
(2)InChI: InChI=1/C6H7ClN2O2S/c7-5-3-4(12(9,10)11)1-2-6(5)8/h1-3H,8H2,(H2,9,10,11)
(3)InChIKey: LFIOFZKZCDMGFG-UHFFFAOYAM

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2950mg/kg (2950mg/kg) BEHAVIORAL: ATAXIA

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
Arzneimittel-Forschung. Drug Research. Vol. 28, Pg. 1331, 1978.
Link to PubMed