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3989-50-2

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Basic Information
CAS No.: 3989-50-2
Name: 4-(Acetylamino)benzenesulfonic acid hydrazide
Article Data: 25
Molecular Structure:
Molecular Structure of 3989-50-2 (4-(Acetylamino)benzenesulfonic acid hydrazide)
Formula: C8H11N3O3S
Molecular Weight: 229.26
Synonyms: Benzenesulfonic acid, 4- (acetylamino)-, hydrazide;
Density: 1.43 g/cm3
Melting Point: 177-178 °C (decomp)
PSA: 109.67000
LogP: 2.04200
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Specification

This chemical is called N-[4-(Hydrazinesulfonyl)phenyl]acetamide, and it can also be named as Benzenesulfonic acid, 4-(acetylamino)-, hydrazide. The molecular formula of this chemical is C8H11N3O3S. The CAS registry number of this chemical is 3989-50-2, and its systematic name is N-[4-(Hydrazinylsulfonyl)phenyl]acetamide. 

Other characteristics of the N-[4-(Hydrazinesulfonyl)phenyl]acetamide can be summarised as followings: (1)ACD/LogP: -0.57; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 11.61; (6)ACD/KOC (pH 7.4): 11.47; (7)#H bond acceptors: 6; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 69.31 Å2; (11)Index of Refraction: 1.614; (12)Molar Refractivity: 55.86 cm3; (13)Molar Volume: 160.2 cm3; (14)Polarizability: 22.14 ×10-24 cm3; (15)Surface Tension: 63.8 dyne/cm; (16)Density: 1.43 g/cm3.

You can still convert the following datas into molecular structure:
1.SMILES: O=S(=O)(NN)c1ccc(NC(=O)C)cc1
2.InChI: InChI=1/C8H11N3O3S/c1-6(12)10-7-2-4-8(5-3-7)15(13,14)11-9/h2-5,11H,9H2,1H3,(H,10,12)
3.InChIKey: PBCWYAIMPZBEGL-UHFFFAOYAT