Home Carboxys methyl 5-methyl-4-sulfamoylfuran-2-carboxylate

methyl 5-methyl-4-sulfamoylfuran-2-carboxylate

CAS No.:
344308-92-5
Catalog Number:
AG01C2NL
Molecular Formula:
C7H9NO5S
Molecular Weight:
219.2151
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Product Description
Catalog Number:
AG01C2NL
Chemical Name:
methyl 5-methyl-4-sulfamoylfuran-2-carboxylate
CAS Number:
344308-92-5
Molecular Formula:
C7H9NO5S
Molecular Weight:
219.2151
MDL Number:
MFCD02320399
IUPAC Name:
methyl 5-methyl-4-sulfamoylfuran-2-carboxylate
InChI:
InChI=1S/C7H9NO5S/c1-4-6(14(8,10)11)3-5(13-4)7(9)12-2/h3H,1-2H3,(H2,8,10,11)
InChI Key:
LRJHVVIFYRYWGZ-UHFFFAOYSA-N
SMILES:
COC(=O)c1oc(c(c1)S(=O)(=O)N)C
Properties
Complexity:
320  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.02g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
219.211g/mol
Monoisotopic Mass:
219.02g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties