Cas no 31816-72-5 (Benzoic acid,4-[[[2-(dimethylamino)ethyl]amino]sulfonyl]-)
![Benzoic acid,4-[[[2-(dimethylamino)ethyl]amino]sulfonyl]- structure](https://ossimg.kuujia.com/scimg/32000/31816-72-5x500.png)
31816-72-5 structure
Product Name:Benzoic acid,4-[[[2-(dimethylamino)ethyl]amino]sulfonyl]-
CAS No:31816-72-5
MF:C11H16N2O4S
MW:272.320741653442
CID:300065
PubChem ID:16767864
Update Time:2025-04-19
Benzoic acid,4-[[[2-(dimethylamino)ethyl]amino]sulfonyl]- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,4-[[[2-(dimethylamino)ethyl]amino]sulfonyl]-
- Benzoicacid, p-[[2-(dimethylamino)ethyl]sulfamoyl]- (8CI)
- 4-[2-(dimethylamino)ethylsulfamoyl]benzoic acid
- 31816-72-5
- DTXSID50588020
- AKOS000123341
- 4-({[2-(DIMETHYLAMINO)ETHYL]AMINO}SULFONYL)BENZOIC ACID
- 4-{[2-(Dimethylamino)ethyl]sulfamoyl}benzoic acid
- 4-(((2-(dimethylamino)ethyl)amino)sulfonyl)benzoic acid
- 4-(N-(2-(dimethylamino)ethyl)sulfamoyl)benzoic acid
- PXCYVRHHRXRMKQ-UHFFFAOYSA-N
- SCHEMBL15754748
-
- Inchi： 1S/C11H16N2O4S/c1-13(2)8-7-12-18(16,17)10-5-3-9(4-6-10)11(14)15/h3-6,12H,7-8H2,1-2H3,(H,14,15)
- InChI Key： PXCYVRHHRXRMKQ-UHFFFAOYSA-N
- SMILES： S(C1C=CC(C(=O)O)=CC=1)(NCCN(C)C)(=O)=O
Computed Properties
- Exact Mass: 272.08318
- Monoisotopic Mass: 272.08307817g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 18
- Rotatable Bond Count: 6
- Complexity: 367
- 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: -1.8
- Topological Polar Surface Area: 95.1?2
Experimental Properties
- PSA: 86.71
Benzoic acid,4-[[[2-(dimethylamino)ethyl]amino]sulfonyl]- Related Literature
-
Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
-
Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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