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2621-99-0

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Basic Information
CAS No.: 2621-99-0
Name: N-[4-(aminosulphonyl)phenyl]acrylamide
Article Data: 5
Molecular Structure:
Molecular Structure of 2621-99-0 (N-[4-(aminosulphonyl)phenyl]acrylamide)
Formula: C9H10N2O3S
Molecular Weight: 226.256
Synonyms: Acrylanilide,4'-sulfamoyl- (6CI,7CI,8CI);4'-Sulfamoylacrylanilide;N-(p-Aminosulfonylphenyl)acrylamide;NSC 506350;
EINECS: 220-066-6
Density: 1.387 g/cm3
Melting Point: 215 °C
PSA: 97.64000
LogP: 2.31260
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Specification

The 2-Propenamide,N-[4-(aminosulfonyl)phenyl]-, with the CAS registry number 2621-99-0, is also known as N-(4-Sulfamoylphenyl)acrylamide. Its EINECS registry number is 220-066-6. This chemical's molecular formula is C9H10N2O3S and molecular weight is 226.25. What's more, its IUPAC name is called N-(4-Sulfamoylphenyl)prop-2-enamide. It should be stored in a dry place and keep it away from light. It can be used as film-former and drug intermediates.

Physical properties about 2-Propenamide,N-[4-(aminosulfonyl)phenyl]- are: (1)ACD/LogP: -0.874; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.87; (4)ACD/LogD (pH 7.4): -0.88; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 7.97; (8)ACD/KOC (pH 7.4): 7.95; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 97.64 Å2; (13)Index of Refraction: 1.611; (14)Molar Refractivity: 56.614 cm3; (15)Molar Volume: 163.065 cm3; (16)Polarizability: 22.443×10-24cm3; (17)Surface Tension: 60.089 dyne/cm; (18)Density: 1.387 g/cm3.

You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(N)c1ccc(NC(=O)\C=C)cc1
(2) InChI: InChI=1S/C9H10N2O3S/c1-2-9(12)11-7-3-5-8(6-4-7)15(10,13)14/h2-6H,1H2,(H,11,12)(H2,10,13,14)
(3) InChIKey: RINSWHLCRAFXEY-UHFFFAOYSA-N