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Home > Sulfanilamide > 89454-43-3
89454-43-3 | Methanesulfonamide, N-methyl-N-[3-(1H-purin-8-yl)phenyl]-
CAS No: 89454-43-3 Catalog No: AG004483 MDL No:
Product Description
Catalog Number:
AG004483
Chemical Name:
Methanesulfonamide, N-methyl-N-[3-(1H-purin-8-yl)phenyl]-
CAS Number:
89454-43-3
Molecular Formula:
C13H13N5O2S
Molecular Weight:
303.3396
IUPAC Name:
N-methyl-N-[3-(7H-purin-8-yl)phenyl]methanesulfonamide
InChI:
InChI=1S/C13H13N5O2S/c1-18(21(2,19)20)10-5-3-4-9(6-10)12-16-11-7-14-8-15-13(11)17-12/h3-8H,1-2H3,(H,14,15,16,17)
InChI Key:
ZPBXUHONYRSYBJ-UHFFFAOYSA-N
SMILES:
CN(S(=O)(=O)C)c1cccc(c1)c1nc2c(n1)c[nH]cn2
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.079g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
303.34g/mol
Monoisotopic Mass:
303.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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