Home Sulfos 1-[(4-Chlorophenyl)sulfonyl]piperidine-4-carboxylic acid

1-[(4-Chlorophenyl)sulfonyl]piperidine-4-carboxylic acid

CAS No.:
314744-43-9
Catalog Number:
AG00BZZJ
Molecular Formula:
C12H14ClNO4S
Molecular Weight:
303.7619
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
1 week
United States
$160
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Product Description
Catalog Number:
AG00BZZJ
Chemical Name:
1-[(4-Chlorophenyl)sulfonyl]piperidine-4-carboxylic acid
CAS Number:
314744-43-9
Molecular Formula:
C12H14ClNO4S
Molecular Weight:
303.7619
MDL Number:
MFCD00864666
IUPAC Name:
1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylic acid
InChI:
InChI=1S/C12H14ClNO4S/c13-10-1-3-11(4-2-10)19(17,18)14-7-5-9(6-8-14)12(15)16/h1-4,9H,5-8H2,(H,15,16)
InChI Key:
WQUWIRWFTDFGFT-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)Cl
Properties
Complexity:
418  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.033g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
303.757g/mol
Monoisotopic Mass:
303.033g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
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