CAS No.2015-14-7,4-(Acetamidomethyl)benzenesulfamide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	2015-14-7
Name:	4-(Acetamidomethyl)benzenesulfamide
Article Data:	8

Formula:	C₉H₁₂N₂O₃S
Molecular Weight:	228.272
Synonyms:	Acetamide,N-(p-sulfamoylbenzyl)- (6CI,7CI,8CI);4-Acetamidomethylbenzenesulfonamide;N4-Acetylhomosulfanilamide;NSC 29831;
EINECS:	217-942-5
Density:	1.315 g/cm³
Melting Point:	177 °C
PSA:	97.64000
LogP:	2.14210

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Specification

This chemical has the systematic name N-[4-(Aminosulfonyl)benzyl]acetamide. With the CAS registry number 2015-14-7, it's also known as acetamide, N-[[4-(aminosulfonyl)phenyl]methyl]-. Its molecular formula is C₉H₁₂N₂O₃S and its molecular weight is 228.26818. Additionally, it's used as sulfa myron acetate intermediates.

Physical properties about N-[4-(Aminosulfonyl)benzyl]acetamide are: (1)ACD/LogP: -1.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.15; (4)ACD/LogD (pH 7.4): -1.15; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.64; (8)ACD/KOC (pH 7.4): 5.62; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 66.07 Å²; (13)Index of Refraction: 1.568; (14)Molar Refractivity: 56.84 cm³; (15)Molar Volume: 173.6 cm³; (16)Polarizability: 22.53×10^-24cm³; (17)Surface Tension: 51.3 dyne/cm; (18)Density: 1.314 g/cm³.

Production method of this chemical: Benzylamine and acetic acid get the process of acylation with the acetyl benzyl amine. After sulfonation with chlorosulfonic acid chloride, the acetaminophen-methyl benzenesulfonyl chloride is obtained. Finally, its later product has amination with ammonia to get the N-[4-(Aminosulfonyl)benzyl]acetamide.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1ccc(cc1)CNC(=O)C)N
(2)InChI: InChI=1/C9H12N2O3S/c1-7(12)11-6-8-2-4-9(5-3-8)15(10,13)14/h2-5H,6H2,1H3,(H,11,12)(H2,10,13,14)
(3)InChIKey: AHQONKCJXWTTOW-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C9H12N2O3S/c1-7(12)11-6-8-2-4-9(5-3-8)15(10,13)14/h2-5H,6H2,1H3,(H,11,12)(H2,10,13,14)
(5)Std. InChIKey: AHQONKCJXWTTOW-UHFFFAOYSA-N