Home Sulfos 3-[(3-oxopiperazin-1-yl)sulfonyl]benzoic acid

3-[(3-oxopiperazin-1-yl)sulfonyl]benzoic acid

CAS No.:
926252-37-1
Catalog Number:
AG019L5I
Molecular Formula:
C11H12N2O5S
Molecular Weight:
284.2884
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Product Description
Catalog Number:
AG019L5I
Chemical Name:
3-[(3-oxopiperazin-1-yl)sulfonyl]benzoic acid
CAS Number:
926252-37-1
Molecular Formula:
C11H12N2O5S
Molecular Weight:
284.2884
MDL Number:
MFCD09041489
IUPAC Name:
3-(3-oxopiperazin-1-yl)sulfonylbenzoic acid
InChI:
InChI=1S/C11H12N2O5S/c14-10-7-13(5-4-12-10)19(17,18)9-3-1-2-8(6-9)11(15)16/h1-3,6H,4-5,7H2,(H,12,14)(H,15,16)
InChI Key:
DUNOHUAXGDZSLY-UHFFFAOYSA-N
SMILES:
O=C1NCCN(C1)S(=O)(=O)c1cccc(c1)C(=O)O
Properties
Complexity:
470  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.047g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
284.286g/mol
Monoisotopic Mass:
284.047g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Properties