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Home > Sulfanilamide > 89469-26-1
89469-26-1 | Benzenesulfonamide, 3-methoxy-N-methyl-4-(1H-purin-8-yl)-
CAS No: 89469-26-1 Catalog No: AG0042A9 MDL No:
Product Description
Catalog Number:
AG0042A9
Chemical Name:
Benzenesulfonamide, 3-methoxy-N-methyl-4-(1H-purin-8-yl)-
CAS Number:
89469-26-1
Molecular Formula:
C13H13N5O3S
Molecular Weight:
319.3390
IUPAC Name:
3-methoxy-N-methyl-4-(7H-purin-8-yl)benzenesulfonamide
InChI:
InChI=1S/C13H13N5O3S/c1-14-22(19,20)8-3-4-9(11(5-8)21-2)12-17-10-6-15-7-16-13(10)18-12/h3-7,14H,1-2H3,(H,15,16,17,18)
InChI Key:
PJMXLMUGPNKEHL-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1c1nc2c(n1)c[nH]cn2)S(=O)(=O)NC
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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