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175136-83-1 | 4-Isoxazolesulfonamide,3,5-dimethyl-(9CI)
CAS No: 175136-83-1 Catalog No: AG00AQO2 MDL No:MFCD00104577
Product Description
Catalog Number:
AG00AQO2
Chemical Name:
4-Isoxazolesulfonamide,3,5-dimethyl-(9CI)
CAS Number:
175136-83-1
Molecular Formula:
C5H8N2O3S
Molecular Weight:
176.1936
MDL Number:
MFCD00104577
IUPAC Name:
3,5-dimethyl-1,2-oxazole-4-sulfonamide
InChI:
InChI=1S/C5H8N2O3S/c1-3-5(11(6,8)9)4(2)10-7-3/h1-2H3,(H2,6,8,9)
InChI Key:
GXRGFHCFXQFLBX-UHFFFAOYSA-N
SMILES:
Cc1onc(c1S(=O)(=O)N)C
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.026g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.19g/mol
Monoisotopic Mass:
176.026g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
94.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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