Basic information
- Name:
Benzenesulfonamide,4-methyl-N-[(4-methylphenyl)sulfonyl]-
- Superlist Name:
- Bis(4-methylbenzenesulfon)amine
- CAS No.:
3695-00-9
- Molecular Structure:
![Molecular Structure of 3695-00-9 (Benzenesulfonamide,4-methyl-N-[(4-methylphenyl)sulfonyl]-)](http://www.lookchem.com/300w/2010/0626/3695-00-9.jpg)
- Formula:
- C14H15NO4S2
- Molecular Weight:
- 325.4
- Synonyms:
- Di-p-toluenesulfonamide(6CI,7CI,8CI);Bis(4-methylbenzenesulfon)amine;Bis(4-methylbenzenesulfonyl)amine;Bis(p-toluenesulfonyl)amine;Bis(p-tolylsulfonyl)amine;Di-p-Toluenesulfonimide;Ditosylamine;KPTSM;N-(4-Methylphenylsulfonyl)-4-methylbenzenesulfonamide;N-(p-Tolylsulfonyl)-p-toluenesulfonamide;NSC 1150;
- EINECS:
- 223-016-1
- Density:
- 1.343 g/cm3
- Boiling Point:
- 493.6 °C at 760 mmHg
- Flash Point:
- 252.3 °C
- Safety Description:
- 24/25 Details
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Specification
The Benzenesulfonamide,4-methyl-N-[(4-methylphenyl)sulfonyl]-, with the CAS registry number 3695-00-9 and EINECS registry number 223-016-1, has the systematic name of 4-methyl-N-[(4-methylphenyl)sulfonyl]benzenesulfonamide. It is a kind of white crystalline powder, and the molecular formula of the chemical is C14H15NO4S2. What's more, you should avoid contacting with skin and eyes.
The characteristics of Benzenesulfonamide,4-methyl-N-[(4-methylphenyl)sulfonyl]- are as followings: (1)ACD/LogP: 1.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.56; (4)ACD/LogD (pH 7.4): -0.56; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.45; (8)ACD/KOC (pH 7.4): 1.45; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 88.28 Å2; (13)Index of Refraction: 1.592; (14)Molar Refractivity: 81.99 cm3; (15)Molar Volume: 242.2 cm3; (16)Polarizability: 32.5×10-24cm3; (17)Surface Tension: 49.2 dyne/cm; (18)Density: 1.343 g/cm3; (19)Flash Point: 252.3 °C; (20)Enthalpy of Vaporization: 76.08 kJ/mol; (21)Boiling Point: 493.6 °C at 760 mmHg; (22)Vapour Pressure: 6.94E-10 mmHg at 25°C.
Preparation of Benzenesulfonamide,4-methyl-N-[(4-methylphenyl)sulfonyl]-: This chemical can be prepared by toluene-4-sulfonamide and toluene-4-sulfonyl chloride. The reaction will need reagent Et3N, and the menstruum CH2Cl2. The reaction time is 12 hours with ambient temperature, and the yield is about 37%.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=S(=O)(c1ccc(cc1)C)NS(=O)(=O)c2ccc(cc2)C
(2)InChI: InChI=1/C14H15NO4S2/c1-11-3-7-13(8-4-11)20(16,17)15-21(18,19)14-9-5-12(2)6-10-14/h3-10,15H,1-2H3
(3)InChIKey: LHWZLUXODWUHLZ-UHFFFAOYAE
