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Home > Sulfanilamide > 89454-37-5
89454-37-5 | Methanesulfonamide, N-[3-methoxy-4-(1H-purin-8-yl)phenyl]-
CAS No: 89454-37-5 Catalog No: AG004485 MDL No:
Product Description
Catalog Number:
AG004485
Chemical Name:
Methanesulfonamide, N-[3-methoxy-4-(1H-purin-8-yl)phenyl]-
CAS Number:
89454-37-5
Molecular Formula:
C13H13N5O3S
Molecular Weight:
319.3390
IUPAC Name:
N-[3-methoxy-4-(7H-purin-8-yl)phenyl]methanesulfonamide
InChI:
InChI=1S/C13H13N5O3S/c1-21-11-5-8(18-22(2,19)20)3-4-9(11)12-16-10-6-14-7-15-13(10)17-12/h3-7,18H,1-2H3,(H,14,15,16,17)
InChI Key:
OZIKIQNXYHEBCZ-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1c1nc2c(n1)c[nH]cn2)NS(=O)(=O)C
Properties
Complexity:
483
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.074g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
319.339g/mol
Monoisotopic Mass:
319.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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