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Home > Sulfanilamide > 89469-17-0
89469-17-0 | Benzenesulfonamide, 3-methoxy-4-(1H-purin-8-yl)-
CAS No: 89469-17-0 Catalog No: AG0043QY MDL No:
Product Description
Catalog Number:
AG0043QY
Chemical Name:
Benzenesulfonamide, 3-methoxy-4-(1H-purin-8-yl)-
CAS Number:
89469-17-0
Molecular Formula:
C12H11N5O3S
Molecular Weight:
305.3124
IUPAC Name:
3-methoxy-4-(7H-purin-8-yl)benzenesulfonamide
InChI:
InChI=1S/C12H11N5O3S/c1-20-10-4-7(21(13,18)19)2-3-8(10)11-16-9-5-14-6-15-12(9)17-11/h2-6H,1H3,(H2,13,18,19)(H,14,15,16,17)
InChI Key:
AKJJMHOERNZPRH-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1c1nc2c(n1)c[nH]cn2)S(=O)(=O)N
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.058g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
305.312g/mol
Monoisotopic Mass:
305.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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