Cas no 54996-17-7 (4-amino-N-(6-chloro-1,5-naphthyridin-2-yl)benzenesulfonamide)
54996-17-7 structure
Product Name:4-amino-N-(6-chloro-1,5-naphthyridin-2-yl)benzenesulfonamide
CAS No:54996-17-7
MF:C14H11ClN4O2S
MW:334.780740022659
CID:1591660
PubChem ID:3043054
Update Time:2025-04-21
4-amino-N-(6-chloro-1,5-naphthyridin-2-yl)benzenesulfonamide Chemical and Physical Properties
Names and Identifiers
-
- 4-amino-N-(6-chloro-1,5-naphthyridin-2-yl)benzenesulfonamide
- 54996-17-7
- 5-25-11-00133 (Beilstein Handbook Reference)
- Benzenesulfonamide, 4-amino-N-(6-chloro-1,5-naphthyridin-2-yl)-
- DTXSID90203523
- 2-(4'-Aminobenzenesulfonamido)-6-chloro-1,5-naphthyridine
- BRN 0694666
-
- Inchi： 1S/C14H11ClN4O2S/c15-13-7-5-12-11(17-13)6-8-14(18-12)19-22(20,21)10-3-1-9(16)2-4-10/h1-8H,16H2,(H,18,19)
- InChI Key： ODHRXYHJTULYLX-UHFFFAOYSA-N
- SMILES： ClC1C=CC2=C(C=CC(=N2)NS(C2C=CC(=CC=2)N)(=O)=O)N=1
Computed Properties
- Exact Mass: 334.02933
- Monoisotopic Mass: 334.029
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 22
- Rotatable Bond Count: 3
- Complexity: 476
- 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: 2.6
- Topological Polar Surface Area: 106?2
Experimental Properties
- Density: 1.569
- Boiling Point: 580°C at 760 mmHg
- Flash Point: 304.6°C
- Refractive Index: 1.734
- PSA: 97.97
4-amino-N-(6-chloro-1,5-naphthyridin-2-yl)benzenesulfonamide Related Literature
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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