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110505-56-1 | Benzenesulfonamide,4,4'-(1-triazene-1,3-diyl)bis[N-(4,6-dimethyl-2-pyrimidinyl)- (9CI)
CAS No: 110505-56-1 Catalog No: AG0083WB MDL No:
Product Description
Catalog Number:
AG0083WB
Chemical Name:
Benzenesulfonamide,4,4'-(1-triazene-1,3-diyl)bis[N-(4,6-dimethyl-2-pyrimidinyl)- (9CI)
CAS Number:
110505-56-1
Molecular Formula:
C24H25N9O4S2
Molecular Weight:
567.6432
IUPAC Name:
N-(4,6-dimethylpyrimidin-2-yl)-4-[2-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]iminohydrazinyl]benzenesulfonamide
InChI:
InChI=1S/C24H25N9O4S2/c1-15-13-16(2)26-23(25-15)31-38(34,35)21-9-5-19(6-10-21)29-33-30-20-7-11-22(12-8-20)39(36,37)32-24-27-17(3)14-18(4)28-24/h5-14H,1-4H3,(H,29,30)(H,25,26,31)(H,27,28,32)
InChI Key:
AYNXSDVZZFLENJ-UHFFFAOYSA-N
SMILES:
Cc1cc(C)nc(n1)NS(=O)(=O)c1ccc(cc1)NN=Nc1ccc(cc1)S(=O)(=O)Nc1nc(C)cc(n1)C
Properties
Complexity:
997
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
567.147g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
13
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
567.643g/mol
Monoisotopic Mass:
567.147g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
197A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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