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72236-24-9 | 4-[(4-acetamidophenyl)sulfonylamino]benzoic acid
CAS No: 72236-24-9 Catalog No: AG005J3T MDL No:
Product Description
Catalog Number:
AG005J3T
Chemical Name:
4-[(4-acetamidophenyl)sulfonylamino]benzoic acid
CAS Number:
72236-24-9
Molecular Formula:
C15H14N2O5S
Molecular Weight:
334.3471
IUPAC Name:
4-[(4-acetamidophenyl)sulfonylamino]benzoic acid
InChI:
InChI=1S/C15H14N2O5S/c1-10(18)16-12-6-8-14(9-7-12)23(21,22)17-13-4-2-11(3-5-13)15(19)20/h2-9,17H,1H3,(H,16,18)(H,19,20)
InChI Key:
JQDWCODPTYKORB-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)C(=O)O
NSC Number:
68431
Properties
Complexity:
527
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.062g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
334.346g/mol
Monoisotopic Mass:
334.062g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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