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28547-16-2

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Basic Information
CAS No.: 28547-16-2
Name: 4-BENZENESULFONYLAMINOBENZOIC ACID
Article Data: 13
Molecular Structure:
Molecular Structure of 28547-16-2 (4-BENZENESULFONYLAMINOBENZOIC ACID)
Formula: C13H11NO4S
Molecular Weight: 277.301
Synonyms: Benzoicacid, p-benzenesulfonamido- (6CI,8CI);4-Benzenesulfonamidobenzoic acid;N-(p-Carboxyphenyl)benzenesulfonamide;p-Benzenesulfonamidobenzoic acid;4-[(Phenylsulfonyl)amino]benzoic acid;
Density: 1.451 g/cm3
Melting Point: 212 °C (decomp)
Boiling Point: 487.8 °C at 760 mmHg
Flash Point: 248.8 °C
PSA: 91.85000
LogP: 3.33940
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Specification

The Benzoic acid,4-[(phenylsulfonyl)amino]-, with the CAS registry number 28547-16-2, is also known as 4-Benzenesulfonamidobenzoic acid. This chemical's molecular formula is C13H11NO4S and molecular weight is 277.3. What's more, its systematic name is 4-[(Phenylsulfonyl)amino]benzoic acid.

Physical properties of Benzoic acid,4-[(phenylsulfonyl)amino]- are: (1)ACD/LogP: 2.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.35; (4)ACD/LogD (pH 7.4): -0.23; (5)ACD/BCF (pH 5.5): 3; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 31.9; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 72.06 Å2; (13)Index of Refraction: 1.656; (14)Molar Refractivity: 70.2 cm3; (15)Molar Volume: 191 cm3; (16)Polarizability: 27.83×10-24 cm3; (17)Surface Tension: 66.5 dyne/cm; (18)Density: 1.451 g/cm3; (19)Flash Point: 248.8 °C; (20)Enthalpy of Vaporization: 79.39 kJ/mol; (21)Boiling Point: 487.8 °C at 760 mmHg; (22)Vapour Pressure: 2.49E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)O
(2)InChI: InChI=1S/C13H11NO4S/c15-13(16)10-6-8-11(9-7-10)14-19(17,18)12-4-2-1-3-5-12/h1-9,14H,(H,15,16)
(3)InChIKey: YAGOYAVZOJQMRT-UHFFFAOYSA-N