Cas no 62646-36-0 (4-[(4-sulfamoylbenzyl)sulfamoyl]benzoic acid)
![4-[(4-sulfamoylbenzyl)sulfamoyl]benzoic acid structure](https://ossimg.kuujia.com/scimg/63000/62646-36-0x500.png)
62646-36-0 structure
Product Name:4-[(4-sulfamoylbenzyl)sulfamoyl]benzoic acid
CAS No:62646-36-0
MF:C14H14N2O6S2
MW:370.400761127472
CID:1640700
PubChem ID:44109
Update Time:2025-04-21
4-[(4-sulfamoylbenzyl)sulfamoyl]benzoic acid Chemical and Physical Properties
Names and Identifiers
-
- 4-[(4-sulfamoylbenzyl)sulfamoyl]benzoic acid
- 4-[(4-sulfamoylphenyl)methylsulfamoyl]benzoic acid
- DTXSID10978206
- BENZOIC ACID, 4-((((4-(AMINOSULFONYL)PHENYL)METHYL)AMINO)SULFONYL)-
- 4-((((4-(Aminosulfonyl)phenyl)methyl)amino)sulfonyl)benzoic acid
- 62646-36-0
- 4-{[(4-Sulfamoylphenyl)methyl]sulfamoyl}benzoic acid
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- Inchi： 1S/C14H14N2O6S2/c15-23(19,20)12-5-1-10(2-6-12)9-16-24(21,22)13-7-3-11(4-8-13)14(17)18/h1-8,16H,9H2,(H,17,18)(H2,15,19,20)
- InChI Key： WAEASTIJRRFHPV-UHFFFAOYSA-N
- SMILES： S(C1C=CC(C(=O)O)=CC=1)(NCC1C=CC(=CC=1)S(N)(=O)=O)(=O)=O
Computed Properties
- Exact Mass: 370.02942
- Monoisotopic Mass: 370.029328
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 24
- Rotatable Bond Count: 6
- Complexity: 634
- 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
- Topological Polar Surface Area: 160
- XLogP3: 0.5
Experimental Properties
- Density: 1.529
- Boiling Point: 656.2°C at 760 mmHg
- Flash Point: 350.6°C
- Refractive Index: 1.64
- PSA: 143.63
4-[(4-sulfamoylbenzyl)sulfamoyl]benzoic acid Related Literature
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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4. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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5. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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