Cas no 95454-04-9 (Benzoic acid, 5-(aminosulfonyl)-4-chloro-2-[(4-methoxyphenyl)amino]-)
![Benzoic acid, 5-(aminosulfonyl)-4-chloro-2-[(4-methoxyphenyl)amino]- structure](https://ossimg.kuujia.com/scimg/95500/95454-04-9x500.png)
95454-04-9 structure
Product Name:Benzoic acid, 5-(aminosulfonyl)-4-chloro-2-[(4-methoxyphenyl)amino]-
CAS No:95454-04-9
MF:C14H13ClN2O5S
MW:356.781421422958
CID:751821
PubChem ID:13348414
Update Time:2025-04-19
Benzoic acid, 5-(aminosulfonyl)-4-chloro-2-[(4-methoxyphenyl)amino]- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 5-(aminosulfonyl)-4-chloro-2-[(4-methoxyphenyl)amino]-
- 4-chloro-2-(4-methoxyanilino)-5-sulfamoylbenzoic acid
- 95454-04-9
- DTXSID90537799
-
- Inchi： 1S/C14H13ClN2O5S/c1-22-9-4-2-8(3-5-9)17-12-7-11(15)13(23(16,20)21)6-10(12)14(18)19/h2-7,17H,1H3,(H,18,19)(H2,16,20,21)
- InChI Key： HRJZGHMVLNWUKN-UHFFFAOYSA-N
- SMILES： ClC1=CC(=C(C(=O)O)C=C1S(N)(=O)=O)NC1C=CC(=CC=1)OC
Computed Properties
- Exact Mass: 356.0233704g/mol
- Monoisotopic Mass: 356.0233704g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 23
- Rotatable Bond Count: 5
- Complexity: 516
- 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: 3
- Topological Polar Surface Area: 127?2
Benzoic acid, 5-(aminosulfonyl)-4-chloro-2-[(4-methoxyphenyl)amino]- Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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