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46249-41-6

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Basic Information
CAS No.: 46249-41-6
Name: 4-(AMINOSULFONYL)BENZENESULFONYL CHLORIDE
Article Data: 9
Molecular Structure:
Molecular Structure of 46249-41-6 (4-(AMINOSULFONYL)BENZENESULFONYL CHLORIDE)
Formula: C6H6ClNO4S2
Molecular Weight: 255.703
Synonyms: Benzenesulfonylchloride, p-sulfamoyl- (6CI,7CI);4-(Aminosulfonyl)benzenesulfonyl chloride;4-(Aminosulfonyl)phenylsulfonyl chloride;4-Sulfamoylbenzenesulfonyl chloride;
Density: 1.649 g/cm3
Boiling Point: 433.957 °C at 760 mmHg
Flash Point: 216.25 °C
PSA: 111.06000
LogP: 3.12340
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Specification

The CAS registry number of Benzenesulfonylchloride, 4-(aminosulfonyl)- is 46249-41-6. This chemical is also named as 4-(Aminosulfonyl)benzenesulfonyl chloride. In addition, its molecular formula is C6H6ClNO4S2 and molecular weight is 255.6991. Its systematic name and IUPAC name are the same which is called 4-sulfamoylbenzenesulfonyl chloride.

Physical properties about Benzenesulfonylchloride, 4-(aminosulfonyl)- are: (1)ACD/LogP: 0.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 3; (6)ACD/BCF (pH 7.4): 3; (7)ACD/KOC (pH 5.5): 80; (8)ACD/KOC (pH 7.4): 79; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.597; (13)Molar Refractivity: 52.839 cm3; (14)Molar Volume: 155.037 cm3; (15)Surface Tension: 59.076 dyne/cm; (16)Density: 1.649 g/cm3; (17)Flash Point: 216.25 °C; (18)Enthalpy of Vaporization: 69 kJ/mol; (19)Boiling Point: 433.957 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(Cl)(=O)c1ccc(cc1)S(=O)(=O)N
(2)InChI: InChI=1/C6H6ClNO4S2/c7-13(9,10)5-1-3-6(4-2-5)14(8,11)12/h1-4H,(H2,8,11,12)
(3)InChIKey: LLFQHNCOIPUFIJ-UHFFFAOYAP