Cas no 886732-87-2 (Benzoic acid, 3-[[(phenylsulfonyl)amino]methyl]-)
![Benzoic acid, 3-[[(phenylsulfonyl)amino]methyl]- structure](https://ossimg.kuujia.com/scimg/887000/886732-87-2x500.png)
886732-87-2 structure
Product Name:Benzoic acid, 3-[[(phenylsulfonyl)amino]methyl]-
CAS No:886732-87-2
MF:C14H13NO4S
MW:291.32232260704
CID:1928191
PubChem ID:28286811
Update Time:2025-04-21
Benzoic acid, 3-[[(phenylsulfonyl)amino]methyl]- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 3-[[(phenylsulfonyl)amino]methyl]-
- 3-(Phenylsulfonamidomethyl)benzoic Acid
- 886732-87-2
- 3-[[(Phenylsulfonyl)amino]methyl]benzoic acid
- DB-204055
- SCHEMBL1048486
- LCQHROGKGXSVNY-UHFFFAOYSA-N
-
- Inchi： 1S/C14H13NO4S/c16-14(17)12-6-4-5-11(9-12)10-15-20(18,19)13-7-2-1-3-8-13/h1-9,15H,10H2,(H,16,17)
- InChI Key： LCQHROGKGXSVNY-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1)(NCC1C=CC=C(C(=O)O)C=1)(=O)=O
Computed Properties
- Exact Mass: 291.05652907Da
- Monoisotopic Mass: 291.05652907Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 20
- Rotatable Bond Count: 5
- Complexity: 423
- 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: 1.9
- Topological Polar Surface Area: 91.9?2
Benzoic acid, 3-[[(phenylsulfonyl)amino]methyl]- Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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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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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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