Home Sulfos 4-(4-acetylbenzenesulfonamidomethyl)benzoic acid

4-(4-acetylbenzenesulfonamidomethyl)benzoic acid

CAS No.:
794559-16-3
Catalog Number:
AG019NPD
Molecular Formula:
C16H15NO5S
Molecular Weight:
333.3590
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Product Description
Catalog Number:
AG019NPD
Chemical Name:
4-(4-acetylbenzenesulfonamidomethyl)benzoic acid
CAS Number:
794559-16-3
Molecular Formula:
C16H15NO5S
Molecular Weight:
333.3590
MDL Number:
MFCD06366262
IUPAC Name:
4-[[(4-acetylphenyl)sulfonylamino]methyl]benzoic acid
InChI:
InChI=1S/C16H15NO5S/c1-11(18)13-6-8-15(9-7-13)23(21,22)17-10-12-2-4-14(5-3-12)16(19)20/h2-9,17H,10H2,1H3,(H,19,20)
InChI Key:
VERLOXXTQVEGTD-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)O
Properties
Complexity:
523  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.067g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
333.358g/mol
Monoisotopic Mass:
333.067g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties