Home Sulfos 1-(4-sulfamoylbenzenesulfonyl)piperidine-4-carboxylic acid

1-(4-sulfamoylbenzenesulfonyl)piperidine-4-carboxylic acid

CAS No.:
872107-85-2
Catalog Number:
AG019OTK
Molecular Formula:
C12H16N2O6S2
Molecular Weight:
348.3952
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Product Description
Catalog Number:
AG019OTK
Chemical Name:
1-(4-sulfamoylbenzenesulfonyl)piperidine-4-carboxylic acid
CAS Number:
872107-85-2
Molecular Formula:
C12H16N2O6S2
Molecular Weight:
348.3952
MDL Number:
MFCD07686052
IUPAC Name:
1-(4-sulfamoylphenyl)sulfonylpiperidine-4-carboxylic acid
InChI:
InChI=1S/C12H16N2O6S2/c13-21(17,18)10-1-3-11(4-2-10)22(19,20)14-7-5-9(6-8-14)12(15)16/h1-4,9H,5-8H2,(H,15,16)(H2,13,17,18)
InChI Key:
NIJWYJWHGHJMJC-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)S(=O)(=O)N
Properties
Complexity:
603  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.045g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
348.388g/mol
Monoisotopic Mass:
348.045g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
152A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Properties