Home Other Building Blocks 4-[methoxy(methyl)sulfamoyl]benzoic acid

4-[methoxy(methyl)sulfamoyl]benzoic acid

CAS No.:
863669-56-1
Catalog Number:
AG019OK5
Molecular Formula:
C9H11NO5S
Molecular Weight:
245.2523
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Product Description
Catalog Number:
AG019OK5
Chemical Name:
4-[methoxy(methyl)sulfamoyl]benzoic acid
CAS Number:
863669-56-1
Molecular Formula:
C9H11NO5S
Molecular Weight:
245.2523
MDL Number:
MFCD07339174
IUPAC Name:
4-[methoxy(methyl)sulfamoyl]benzoic acid
InChI:
InChI=1S/C9H11NO5S/c1-10(15-2)16(13,14)8-5-3-7(4-6-8)9(11)12/h3-6H,1-2H3,(H,11,12)
InChI Key:
CJGPRRLAAPLJLX-UHFFFAOYSA-N
SMILES:
CON(S(=O)(=O)c1ccc(cc1)C(=O)O)C
Properties
Complexity:
339  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.036g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
245.249g/mol
Monoisotopic Mass:
245.036g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
92.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
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