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312-52-7

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Basic Information
CAS No.: 312-52-7
Name: 4-Fluoro-N-phenyl-benzenesulfonamide
Article Data: 20
Molecular Structure:
Molecular Structure of 312-52-7 (4-Fluoro-N-phenyl-benzenesulfonamide)
Formula: C12H10FNO2S
Molecular Weight: 251.281
Synonyms: Benzenesulfonanilide,4-fluoro- (6CI,7CI,8CI);N-Phenyl-4-fluorobenzenesulfonamide;
Density: 1.374 g/cm3
Melting Point: 112 °C
Boiling Point: 376.7 °C at 760 mmHg
Flash Point: 181.6 °C
PSA: 54.55000
LogP: 3.78030
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Specification

The CAS registry number of Benzenesulfonamide,4-fluoro-N-phenyl- is 312-52-7. This chemical is also named as N-Phenyl-4-fluorobenzenesulfonamide. In addition, its molecular formula is C12H10FNO2S and molecular weight is 251.2767. Its systematic name and IUPAC name are the same which is called 4-fluoro-N-phenylbenzenesulfonamide. This chemical's classification codes are Drug; Therapeutic agent.

Physical properties about Benzenesulfonamide,4-fluoro-N-phenyl- are: (1)ACD/LogP: 2.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.89; (4)ACD/LogD (pH 7.4): 2.86; (5)ACD/BCF (pH 5.5): 93.05; (6)ACD/BCF (pH 7.4): 85.45; (7)ACD/KOC (pH 5.5): 892.66; (8)ACD/KOC (pH 7.4): 819.73; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.618; (13)Molar Refractivity: 64.04 cm3; (14)Molar Volume: 182.7 cm3; (15)Surface Tension: 52.8 dyne/cm; (16)Density: 1.374 g/cm3; (17)Flash Point: 181.6 °C ; (18)Enthalpy of Vaporization: 62.44 kJ/mol; (19)Boiling Point: 376.7 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(Nc1ccccc1)c2ccc(F)cc2
(2)InChI: InChI=1/C12H10FNO2S/c13-10-6-8-12(9-7-10)17(15,16)14-11-4-2-1-3-5-11/h1-9,14H
(3)InChIKey: LDOCMFAHAVONEI-UHFFFAOYAJ