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7066-27-5 | N,N-DIBENZYL-6-[(4-IODOPHENYL)AMINO]PYRIDINE-3-SULFONAMIDE
CAS No: 7066-27-5 Catalog No: AG005GVA MDL No:
Product Description
Catalog Number:
AG005GVA
Chemical Name:
N,N-DIBENZYL-6-[(4-IODOPHENYL)AMINO]PYRIDINE-3-SULFONAMIDE
CAS Number:
7066-27-5
Molecular Formula:
C25H22IN3O2S
Molecular Weight:
555.4305
IUPAC Name:
N,N-dibenzyl-6-(4-iodoanilino)pyridine-3-sulfonamide
InChI:
InChI=1S/C25H22IN3O2S/c26-22-11-13-23(14-12-22)28-25-16-15-24(17-27-25)32(30,31)29(18-20-7-3-1-4-8-20)19-21-9-5-2-6-10-21/h1-17H,18-19H2,(H,27,28)
InChI Key:
XZZTUZNSTRSGED-UHFFFAOYSA-N
SMILES:
Ic1ccc(cc1)Nc1ccc(cn1)S(=O)(=O)N(Cc1ccccc1)Cc1ccccc1
Properties
Complexity:
631
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
555.048g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
555.434g/mol
Monoisotopic Mass:
555.048g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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