Cas no 62646-29-1 (Benzoic acid, 3-[[[4-(aminosulfonyl)phenyl]sulfonyl]amino]-)
![Benzoic acid, 3-[[[4-(aminosulfonyl)phenyl]sulfonyl]amino]- structure](https://ossimg.kuujia.com/scimg/63000/62646-29-1x500.png)
62646-29-1 structure
Product Name:Benzoic acid, 3-[[[4-(aminosulfonyl)phenyl]sulfonyl]amino]-
CAS No:62646-29-1
MF:C13H12N2O6S2
MW:356.374180793762
CID:436520
PubChem ID:12328622
Update Time:2025-04-19
Benzoic acid, 3-[[[4-(aminosulfonyl)phenyl]sulfonyl]amino]- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 3-[[[4-(aminosulfonyl)phenyl]sulfonyl]amino]-
- 3-[(4-sulfamoylphenyl)sulfonylamino]benzoic acid
- 3-[(4-Sulfamoylbenzene-1-sulfonyl)amino]benzoic acid
- Z115586368
- AKOS008060793
- DTXSID90490072
- 62646-29-1
-
- Inchi： 1S/C13H12N2O6S2/c14-22(18,19)11-4-6-12(7-5-11)23(20,21)15-10-3-1-2-9(8-10)13(16)17/h1-8,15H,(H,16,17)(H2,14,18,19)
- InChI Key： LUFJBLFHOXQNCE-UHFFFAOYSA-N
- SMILES： S(C1C=CC(=CC=1)S(N)(=O)=O)(NC1C=CC=C(C(=O)O)C=1)(=O)=O
Computed Properties
- Exact Mass: 356.01376
- Monoisotopic Mass: 356.01367845g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 23
- Rotatable Bond Count: 5
- Complexity: 626
- 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: 0.5
- Topological Polar Surface Area: 160?2
Experimental Properties
- PSA: 143.63
Benzoic acid, 3-[[[4-(aminosulfonyl)phenyl]sulfonyl]amino]- Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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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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