Home Other Building Blocks 3-[(4-ethoxyphenyl)sulfamoyl]benzoic acid

3-[(4-ethoxyphenyl)sulfamoyl]benzoic acid

CAS No.:
325721-18-4
Catalog Number:
AG019GLD
Molecular Formula:
C15H15NO5S
Molecular Weight:
321.3483
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Product Description
Catalog Number:
AG019GLD
Chemical Name:
3-[(4-ethoxyphenyl)sulfamoyl]benzoic acid
CAS Number:
325721-18-4
Molecular Formula:
C15H15NO5S
Molecular Weight:
321.3483
MDL Number:
MFCD01417116
IUPAC Name:
3-[(4-ethoxyphenyl)sulfamoyl]benzoic acid
InChI:
InChI=1S/C15H15NO5S/c1-2-21-13-8-6-12(7-9-13)16-22(19,20)14-5-3-4-11(10-14)15(17)18/h3-10,16H,2H2,1H3,(H,17,18)
InChI Key:
AMUDGRXNCHTVTA-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)NS(=O)(=O)c1cccc(c1)C(=O)O
Properties
Complexity:
465  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.067g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
321.347g/mol
Monoisotopic Mass:
321.067g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties