Home Sulfos 4-[Methyl(methylsulfonyl)amino]benzoic acid

4-[Methyl(methylsulfonyl)amino]benzoic acid

CAS No.:
200393-68-6
Catalog Number:
AG002CPO
Molecular Formula:
C9H11NO4S
Molecular Weight:
229.2529
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$226
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Product Description
Catalog Number:
AG002CPO
Chemical Name:
4-[Methyl(methylsulfonyl)amino]benzoic acid
CAS Number:
200393-68-6
Molecular Formula:
C9H11NO4S
Molecular Weight:
229.2529
MDL Number:
MFCD00025055
IUPAC Name:
4-[methyl(methylsulfonyl)amino]benzoic acid
InChI:
InChI=1S/C9H11NO4S/c1-10(15(2,13)14)8-5-3-7(4-6-8)9(11)12/h3-6H,1-2H3,(H,11,12)
InChI Key:
VFHSGKOERMMKJP-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)N(S(=O)(=O)C)C
Properties
Complexity:
325  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.041g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
229.25g/mol
Monoisotopic Mass:
229.041g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
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