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28547-15-1

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Basic Information
CAS No.: 28547-15-1
Name: 3-BENZENESULFONYLAMINOBENZOIC ACID
Article Data: 8
Molecular Structure:
Molecular Structure of 28547-15-1 (3-BENZENESULFONYLAMINOBENZOIC ACID)
Formula: C13H11NO4S
Molecular Weight: 277.301
Synonyms: Benzoicacid, m-benzenesulfonamido- (6CI,8CI);3-(Benzenesulfonamido)benzoic acid;3-[(Phenylsulfonyl)amino]benzoic acid;N-(m-Carboxyphenyl)benzenesulfonamide;
Density: 1.451 g/cm3
Melting Point: 203-204 °C
Boiling Point: 492.3 °C at 760 mmHg
Flash Point: 251.5 °C
PSA: 91.85000
LogP: 3.33940
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Specification

The Benzoic acid,3-[(phenylsulfonyl)amino]-, with the CAS registry number 28547-15-1, is also known as 3-(Benzenesulfonamido)benzoic acid. This chemical's molecular formula is C13H11NO4S and molecular weight is 277.3. What's more, its systematic name is 3-[(Phenylsulfonyl)amino]benzoic acid.

Physical properties of Benzoic acid,3-[(phenylsulfonyl)amino]- are: (1)ACD/LogP: 2.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.07; (4)ACD/BCF (pH 5.5): 1.64; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 18.15; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 72.06 Å2; (12)Index of Refraction: 1.656; (13)Molar Refractivity: 70.2 cm3; (14)Molar Volume: 191 cm3; (15)Polarizability: 27.83×10-24 cm3; (16)Surface Tension: 66.5 dyne/cm; (17)Density: 1.451 g/cm3; (18)Flash Point: 251.5 °C; (19)Enthalpy of Vaporization: 79.96 kJ/mol; (20)Boiling Point: 492.3 °C at 760 mmHg; (21)Vapour Pressure: 1.65E-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=CC(=C2)C(=O)O
(2)InChI: InChI=1S/C13H11NO4S/c15-13(16)10-5-4-6-11(9-10)14-19(17,18)12-7-2-1-3-8-12/h1-9,14H,(H,15,16)
(3)InChIKey: RELBUFSHELNQKC-UHFFFAOYSA-N