Cas no 62310-19-4 (Benzoic acid, 5-[(diethylamino)sulfonyl]-2-[(2-methylphenyl)amino]-)
![Benzoic acid, 5-[(diethylamino)sulfonyl]-2-[(2-methylphenyl)amino]- structure](https://ossimg.kuujia.com/scimg/62500/62310-19-4x500.png)
62310-19-4 structure
Product Name:Benzoic acid, 5-[(diethylamino)sulfonyl]-2-[(2-methylphenyl)amino]-
CAS No:62310-19-4
MF:C18H22N2O4S
MW:362.443283557892
CID:449810
PubChem ID:12308437
Update Time:2025-04-19
Benzoic acid, 5-[(diethylamino)sulfonyl]-2-[(2-methylphenyl)amino]- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 5-[(diethylamino)sulfonyl]-2-[(2-methylphenyl)amino]-
- 5-(diethylsulfamoyl)-2-(2-methylanilino)benzoic acid
- 62310-19-4
- DTXSID00487155
-
- Inchi： 1S/C18H22N2O4S/c1-4-20(5-2)25(23,24)14-10-11-17(15(12-14)18(21)22)19-16-9-7-6-8-13(16)3/h6-12,19H,4-5H2,1-3H3,(H,21,22)
- InChI Key： SSYOBOWBJMPALS-UHFFFAOYSA-N
- SMILES： S(C1C=CC(=C(C(=O)O)C=1)NC1C=CC=CC=1C)(N(CC)CC)(=O)=O
Computed Properties
- Exact Mass: 362.13016
- Monoisotopic Mass: 362.13002836g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 25
- Rotatable Bond Count: 7
- Complexity: 542
- 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: 3.8
- Topological Polar Surface Area: 95.1?2
Experimental Properties
- PSA: 86.71
Benzoic acid, 5-[(diethylamino)sulfonyl]-2-[(2-methylphenyl)amino]- Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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