Cas no 62310-20-7 (Benzoic acid, 5-[(diethylamino)sulfonyl]-2-[(4-methylphenyl)amino]-)
62310-20-7 structure
Product Name:Benzoic acid, 5-[(diethylamino)sulfonyl]-2-[(4-methylphenyl)amino]-
CAS No:62310-20-7
MF:C18H22N2O4S
MW:362.443283557892
CID:449809
PubChem ID:12308438
Update Time:2025-04-19
Benzoic acid, 5-[(diethylamino)sulfonyl]-2-[(4-methylphenyl)amino]- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 5-[(diethylamino)sulfonyl]-2-[(4-methylphenyl)amino]-
- 5-(diethylsulfamoyl)-2-(4-methylanilino)benzoic acid
- 62310-20-7
- DTXSID60487156
-
- Inchi: 1S/C18H22N2O4S/c1-4-20(5-2)25(23,24)15-10-11-17(16(12-15)18(21)22)19-14-8-6-13(3)7-9-14/h6-12,19H,4-5H2,1-3H3,(H,21,22)
- InChI Key: LJWSNZJPKLWPKC-UHFFFAOYSA-N
- SMILES: S(C1C=CC(=C(C(=O)O)C=1)NC1C=CC(C)=CC=1)(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: 534
- 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-[(4-methylphenyl)amino]- Related Literature
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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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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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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