Cas no 104076-17-7 (Benzenesulfonamide,4-amino-N-[5-(hydroxymethyl)-4-methyl-3-isoxazolyl]-)
![Benzenesulfonamide,4-amino-N-[5-(hydroxymethyl)-4-methyl-3-isoxazolyl]- structure](https://ossimg.kuujia.com/scimg/104500/104076-17-7x500.png)
104076-17-7 structure
Product Name:Benzenesulfonamide,4-amino-N-[5-(hydroxymethyl)-4-methyl-3-isoxazolyl]-
CAS No:104076-17-7
MF:C11H13N3O4S
MW:283.303621053696
CID:196413
PubChem ID:190686
Update Time:2025-04-19
Benzenesulfonamide,4-amino-N-[5-(hydroxymethyl)-4-methyl-3-isoxazolyl]- Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonamide,4-amino-N-[5-(hydroxymethyl)-4-methyl-3-isoxazolyl]-
- 4-amino-N-[5-(hydroxymethyl)-4-methyl-1,2-oxazol-3-yl]benzenesulfonamide
- Benzenesulfonamide, 4-amino-N-(5-(hydroxymethyl)-4-methyl-3-isoxazolyl)-
- DTXSID30146243
- 104076-17-7
- ZINC03653278
-
- Inchi： 1S/C11H13N3O4S/c1-7-10(6-15)18-13-11(7)14-19(16,17)9-4-2-8(12)3-5-9/h2-5,15H,6,12H2,1H3,(H,13,14)
- InChI Key： XKSKHWISBDRJKT-UHFFFAOYSA-N
- SMILES： S(C1C=CC(=CC=1)N)(NC1C(C)=C(CO)ON=1)(=O)=O
Computed Properties
- Exact Mass: 283.06279
- Monoisotopic Mass: 283.063
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 389
- 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: 0.1
- Topological Polar Surface Area: 127?2
Experimental Properties
- Density: 1.515
- Boiling Point: 552.2°Cat760mmHg
- Flash Point: 287.7°C
- Refractive Index: 1.655
- PSA: 118.45
- LogP: 2.59330
Benzenesulfonamide,4-amino-N-[5-(hydroxymethyl)-4-methyl-3-isoxazolyl]- Related Literature
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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