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827576-90-9 | 4-Pyridinecarboxamide, N-[4-[[(2-benzoylphenyl)amino]sulfonyl]phenyl]-
CAS No: 827576-90-9 Catalog No: AG004UDQ MDL No:
Product Description
Catalog Number:
AG004UDQ
Chemical Name:
4-Pyridinecarboxamide, N-[4-[[(2-benzoylphenyl)amino]sulfonyl]phenyl]-
CAS Number:
827576-90-9
Molecular Formula:
C25H19N3O4S
Molecular Weight:
457.5011
IUPAC Name:
N-[4-[(2-benzoylphenyl)sulfamoyl]phenyl]pyridine-4-carboxamide
InChI:
InChI=1S/C25H19N3O4S/c29-24(18-6-2-1-3-7-18)22-8-4-5-9-23(22)28-33(31,32)21-12-10-20(11-13-21)27-25(30)19-14-16-26-17-15-19/h1-17,28H,(H,27,30)
InChI Key:
JZQRWCOJUYPSRJ-UHFFFAOYSA-N
SMILES:
O=C(c1ccncc1)Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)c1ccccc1
Properties
Complexity:
761
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
457.11g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
457.504g/mol
Monoisotopic Mass:
457.11g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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