Cas no 130552-90-8 (N-Benzylidenebenzenesulfonamide)
130552-90-8 structure
Product Name:N-Benzylidenebenzenesulfonamide
CAS No:130552-90-8
MF:C13H11NO2S
MW:245.296941995621
CID:2624987
PubChem ID:555202
Update Time:2025-04-21
N-Benzylidenebenzenesulfonamide Chemical and Physical Properties
Names and Identifiers
-
- N-[(E)-Phenylmethylene]benzenesulfonamide
- (E)-N-benzylidenebenzenesulfonaMide
- [N(E)]-N-(Phenylmethylene)benzenesulfonamide
- DB-371397
- N-Benzylidenebenzenesulfonamide
- B2206
- DB-247253
- N-benzylidenebenzene sulfonamide
- W10723
- 13909-34-7
- 628-396-6
- 130552-90-8
- N-(benzylidene)benzenesulfonamide
- N-Benzylidene-benzenesulphonamide
-
- Inchi： 1S/C13H11NO2S/c15-17(16,13-9-5-2-6-10-13)14-11-12-7-3-1-4-8-12/h1-11H
- InChI Key： MPNRJEPBAYEQBY-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1)(N=CC1C=CC=CC=1)(=O)=O
Computed Properties
- Exact Mass: 245.051
- Monoisotopic Mass: 245.051
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 344
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- Topological Polar Surface Area: 54.9A^2
- XLogP3: 2.8
Experimental Properties
- Density: 1.16±0.1 g/cm3 (20 oC 760 Torr),
- Melting Point: 76-78 oC
- Boiling Point: 406.3°C at 760 mmHg
- Flash Point: 199.5°C
- Refractive Index: 1.583
- Solubility: Almost insoluble (0.081 g/l) (25 o C),
- PSA: 54.88000
- LogP: 3.57520
N-Benzylidenebenzenesulfonamide Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
-
Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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