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89454-40-0 | Methanesulfonamide, N-[3-(1H-purin-8-yl)phenyl]-
CAS No: 89454-40-0 Catalog No: AG00433M MDL No:
Product Description
Catalog Number:
AG00433M
Chemical Name:
Methanesulfonamide, N-[3-(1H-purin-8-yl)phenyl]-
CAS Number:
89454-40-0
Molecular Formula:
C12H11N5O2S
Molecular Weight:
289.3130
IUPAC Name:
N-[3-(7H-purin-8-yl)phenyl]methanesulfonamide
InChI:
InChI=1S/C12H11N5O2S/c1-20(18,19)17-9-4-2-3-8(5-9)11-15-10-6-13-7-14-12(10)16-11/h2-7,17H,1H3,(H,13,14,15,16)
InChI Key:
YGHCSQHAYDSVKX-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)Nc1cccc(c1)c1nc2c(n1)c[nH]cn2
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.063g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
289.313g/mol
Monoisotopic Mass:
289.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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