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Home Sulfos 3-(Piperidine-1-sulfonyl)benzoic acid

3-(Piperidine-1-sulfonyl)benzoic acid

CAS No.:
7311-93-5
Catalog Number:
AG005FXF
Molecular Formula:
C12H15NO4S
Molecular Weight:
269.3168
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$54
- +
5g
97%
In Stock USA
United States
$194
- +
10g
97%
In Stock USA
United States
$357
- +
25g
97%
In Stock USA
United States
$788
- +
Product Description
Catalog Number:
AG005FXF
Chemical Name:
3-(Piperidine-1-sulfonyl)benzoic acid
CAS Number:
7311-93-5
Molecular Formula:
C12H15NO4S
Molecular Weight:
269.3168
MDL Number:
MFCD00760901
IUPAC Name:
3-piperidin-1-ylsulfonylbenzoic acid
InChI:
InChI=1S/C12H15NO4S/c14-12(15)10-5-4-6-11(9-10)18(16,17)13-7-2-1-3-8-13/h4-6,9H,1-3,7-8H2,(H,14,15)
InChI Key:
QRFCJPBEPZZXEE-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)S(=O)(=O)N1CCCCC1
Properties
Complexity:
395  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.072g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
269.315g/mol
Monoisotopic Mass:
269.072g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
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