Cas no 28242-03-7 (Benzoic acid, 4-[[(3-hydroxypropyl)propylamino]sulfonyl]-)
28242-03-7 structure
Product Name:Benzoic acid, 4-[[(3-hydroxypropyl)propylamino]sulfonyl]-
CAS No:28242-03-7
MF:C13H19NO5S
MW:301.358662843704
CID:237727
PubChem ID:71356201
Update Time:2025-04-19
Benzoic acid, 4-[[(3-hydroxypropyl)propylamino]sulfonyl]- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-[[(3-hydroxypropyl)propylamino]sulfonyl]-
- 4-[3-hydroxypropyl(propyl)sulfamoyl]benzoic acid
- 28242-03-7
- 4-(((3-Hydroxypropyl)propylamino)sulfonyl)benzoic acid
- SCHEMBL23787610
- UNII-KH6A8BM4VL
- DTXSID30780348
- 4-[(3-Hydroxypropyl)(propyl)sulfamoyl]benzoic acid
- Benzoic acid, 4-(((3-hydroxypropyl)propylamino)sulfonyl)-
- KH6A8BM4VL
-
- Inchi: 1S/C13H19NO5S/c1-2-8-14(9-3-10-15)20(18,19)12-6-4-11(5-7-12)13(16)17/h4-7,15H,2-3,8-10H2,1H3,(H,16,17)
- InChI Key: QTBVEQLTAKZGJJ-UHFFFAOYSA-N
- SMILES: S(C1C=CC(C(=O)O)=CC=1)(N(CCC)CCCO)(=O)=O
Computed Properties
- Exact Mass: 301.09839388g/mol
- Monoisotopic Mass: 301.09839388g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 20
- Rotatable Bond Count: 8
- Complexity: 396
- 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: 2
- Topological Polar Surface Area: 103?2
Benzoic acid, 4-[[(3-hydroxypropyl)propylamino]sulfonyl]- 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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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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