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Basic Information
CAS No.: 85605-29-4
Name: N-(2-METHOXY-5-SULFAMOYL-PHENYL)-ACETAMIDE
Molecular Structure:
Molecular Structure of 85605-29-4 (N-(2-METHOXY-5-SULFAMOYL-PHENYL)-ACETAMIDE)
Formula: C9H12N2O4S
Molecular Weight: 244.271
Synonyms: N-[5-(Aminosulfonyl)-2-methoxyphenyl]acetamide;
Density: 1.392 g/cm3
PSA: 106.87000
LogP: 2.15510
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Specification

The Acetamide,N-[5-(aminosulfonyl)-2-methoxyphenyl]-, with the CAS registry number 85605-29-4, is also known as N-[5-(Aminosulfonyl)-2-methoxyphenyl]acetamide. This chemical's molecular formula is C9H12N2O4S and molecular weight is 244.2676. What's more, both its IUPAC name and systematic name are the same which is called N-(2-Methoxy-5-sulfamoylphenyl)acetamide.

Physical properties about Acetamide,N-[5-(aminosulfonyl)-2-methoxyphenyl]- are: (1) ACD/LogP: -0.92; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): -0.92; (4) ACD/LogD (pH 7.4): -0.92; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 7.49; (8) ACD/KOC (pH 7.4): 7.48; (9) #H bond acceptors: 6; (10) #H bond donors: 3; (11) #Freely Rotating Bonds: 3; (12) Polar Surface Area: 75.3 Å2; (13) Index of Refraction: 1.582; (14) Molar Refractivity: 58.57 cm3; (15)Molar Volume: 175.4 cm3; (16) Surface Tension: 57.6 dyne/cm; (17) Density: 1.392 g/cm3.

You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(c1ccc(OC)c(NC(=O)C)c1)N
(2) InChI: InChI=1/C9H12N2O4S/c1-6(12)11-8-5-7(16(10,13)14)3-4-9(8)15-2/h3-5H,1-2H3,(H,11,12)(H2,10,13,14)
(3) InChIKey: CIPIFLDLSCTFIC-UHFFFAOYAW