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Home > Sulfanilamide > 89469-21-6
89469-21-6 | Benzenesulfonamide, N-butyl-3-methoxy-4-(1H-purin-8-yl)-
CAS No: 89469-21-6 Catalog No: AG0042AB MDL No:
Product Description
Catalog Number:
AG0042AB
Chemical Name:
Benzenesulfonamide, N-butyl-3-methoxy-4-(1H-purin-8-yl)-
CAS Number:
89469-21-6
Molecular Formula:
C16H19N5O3S
Molecular Weight:
361.4188
IUPAC Name:
N-butyl-3-methoxy-4-(7H-purin-8-yl)benzenesulfonamide
InChI:
InChI=1S/C16H19N5O3S/c1-3-4-7-19-25(22,23)11-5-6-12(14(8-11)24-2)15-20-13-9-17-10-18-16(13)21-15/h5-6,8-10,19H,3-4,7H2,1-2H3,(H,17,18,20,21)
InChI Key:
PUKYGKGSCPXWAK-UHFFFAOYSA-N
SMILES:
CCCCNS(=O)(=O)c1ccc(c(c1)OC)c1nc2c(n1)c[nH]cn2
Properties
Complexity:
526
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.121g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
361.42g/mol
Monoisotopic Mass:
361.121g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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