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Home Sulfos 2-Hydroxy-5-(pyrrolidin-1-ylsulfonyl)benzoic acid

2-Hydroxy-5-(pyrrolidin-1-ylsulfonyl)benzoic acid

CAS No.:
326024-05-9
Catalog Number:
AG00I672
Molecular Formula:
C11H13NO5S
Molecular Weight:
271.2896
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
500mg
95%
In Stock USA
United States
$138
- +
1g
95%
In Stock USA
United States
$169
- +
5g
95%
In Stock USA
United States
$513
- +
10g
95%
In Stock USA
United States
$950
- +
25g
95%
In Stock USA
United States
$1975
- +
Product Description
Catalog Number:
AG00I672
Chemical Name:
2-Hydroxy-5-(pyrrolidin-1-ylsulfonyl)benzoic acid
CAS Number:
326024-05-9
Molecular Formula:
C11H13NO5S
Molecular Weight:
271.2896
MDL Number:
MFCD02700702
IUPAC Name:
2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzoic acid
InChI:
InChI=1S/C11H13NO5S/c13-10-4-3-8(7-9(10)11(14)15)18(16,17)12-5-1-2-6-12/h3-4,7,13H,1-2,5-6H2,(H,14,15)
InChI Key:
JQBNNVRJHMJMMK-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(ccc1O)S(=O)(=O)N1CCCC1
Properties
Complexity:
410  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.051g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
271.287g/mol
Monoisotopic Mass:
271.051g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
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