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1213-38-3

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Basic Information
CAS No.: 1213-38-3
Name: 4-Chloro-N-(pyridin-2-yl)benzenesulfonamide
Molecular Structure:
Molecular Structure of 1213-38-3 (4-Chloro-N-(pyridin-2-yl)benzenesulfonamide)
Formula: C11H9ClN2O2S
Molecular Weight: 268.724
Synonyms: Benzenesulfonamide,p-chloro-N-2-pyridyl- (6CI,7CI,8CI);4-Chloro-N-(2-pyridyl)benzenesulfonamide;NSC 12533;
Density: 1.462 g/cm3
Melting Point: 186 °C
Boiling Point: 430.3 °C at 760 mmHg
Flash Point: 214.1 °C
PSA: 67.44000
LogP: 3.68960
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Specification

The 4-Chloro-N-(pyridin-2-yl)benzenesulfonamide, with the CAS registry number 1213-38-3, is also known as Benzenesulfonamide, 4-chloro-N-2-pyridinyl-. This chemical's molecular formula is C11H9ClN2O2S and molecular weight is 268.72. Its IUPAC name is called 4-chloro-N-pyridin-2-ylbenzenesulfonamide.

Physical properties of 4-Chloro-N-(pyridin-2-yl)benzenesulfonamide: (1)ACD/LogP: 1.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.91; (4)ACD/LogD (pH 7.4): 1.45; (5)ACD/BCF (pH 5.5): 16.43; (6)ACD/BCF (pH 7.4): 5.8; (7)ACD/KOC (pH 5.5): 256.24; (8)ACD/KOC (pH 7.4): 90.49; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.644; (13)Molar Refractivity: 66.55 cm3; (14)Molar Volume: 183.7 cm3; (15)Surface Tension: 63.2 dyne/cm; (16)Density: 1.462 g/cm3; (17)Flash Point: 214.1 °C; (18)Enthalpy of Vaporization: 68.58 kJ/mol; (19)Boiling Point: 430.3 °C at 760 mmHg; (20)Vapour Pressure: 1.31E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)Cl
(2)InChI: InChI=1S/C11H9ClN2O2S/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2-8-13-11/h1-8H,(H,13,14)
(3)InChIKey: ABTLMGYPRQPZJF-UHFFFAOYSA-N