Cas no 5471-99-8 ( )
structure
Product Name:
CAS No:5471-99-8
MF:C18H15N3O6S2
MW:433.458201646805
CID:942695
PubChem ID:3351183
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- N-[2-(benzenesulfonamido)-4-nitrophenyl]benzenesulfonamide
- 5471-99-8
- Cambridge id 6946279
- NSC-28490
- NSC28490
- SR-01000247041
- N,N'-(4-Nitro-1,2-phenylene)dibenzenesulfonamide
- SCHEMBL12768025
- SR-01000247041-1
- DTXSID80391701
-
-
- Inchi： 1S/C18H15N3O6S2/c22-21(23)14-11-12-17(19-28(24,25)15-7-3-1-4-8-15)18(13-14)20-29(26,27)16-9-5-2-6-10-16/h1-13,19-20H
- InChI Key： DREUHQAQUQXRJL-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1)(NC1=CC(=CC=C1NS(C1C=CC=CC=1)(=O)=O)[N+](=O)[O-])(=O)=O
Computed Properties
- Exact Mass: 433.04035
- Monoisotopic Mass: 433.04
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 29
- Rotatable Bond Count: 6
- Complexity: 757
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.8
- Topological Polar Surface Area: 155?2
Experimental Properties
- Density: 1.55
- Boiling Point: 623.6°C at 760 mmHg
- Flash Point: 330.9°C
- Refractive Index: 1.692
- PSA: 135.48
Related Literature
-
Weixuan Zeng,Ouissam El Bakouri,Henrik Ottosson Chem. Sci., 2021,12, 6159-6171
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Bo Chen,Xiaotong Shen,Zhangfeng Luo,Di Cai,Changjing Chen,Changwei Zhang,Peiyong Qin,Hui Cao,Tianwei Tan RSC Adv., 2018,8, 25602-25610
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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