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Home > Sulfanilamide > 82499-19-2
82499-19-2 | ALPHA-TOLUENESULFONAMIDE, N-(PURIN-6-YL)-
CAS No: 82499-19-2 Catalog No: AG008J0L MDL No:
Product Description
Catalog Number:
AG008J0L
Chemical Name:
ALPHA-TOLUENESULFONAMIDE, N-(PURIN-6-YL)-
CAS Number:
82499-19-2
Molecular Formula:
C12H11N5O2S
Molecular Weight:
289.3130
IUPAC Name:
N-benzyl-7H-purine-6-sulfonamide
InChI:
InChI=1S/C12H11N5O2S/c18-20(19,17-6-9-4-2-1-3-5-9)12-10-11(14-7-13-10)15-8-16-12/h1-5,7-8,17H,6H2,(H,13,14,15,16)
InChI Key:
VUSACXIAOWKUCM-UHFFFAOYSA-N
SMILES:
O=S(=O)(Nc1ncnc2c1[nH]cn2)Cc1ccccc1
NSC Number:
61748
Properties
Complexity:
418
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:
4
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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