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Home > Sulfanilamide > 89454-44-4
89454-44-4 | Methanesulfonamide, N-ethyl-N-[3-(1H-purin-8-yl)phenyl]-
CAS No: 89454-44-4 Catalog No: AG008884 MDL No:
Product Description
Catalog Number:
AG008884
Chemical Name:
Methanesulfonamide, N-ethyl-N-[3-(1H-purin-8-yl)phenyl]-
CAS Number:
89454-44-4
Molecular Formula:
C14H15N5O2S
Molecular Weight:
317.3662
IUPAC Name:
N-ethyl-N-[3-(7H-purin-8-yl)phenyl]methanesulfonamide
InChI:
InChI=1S/C14H15N5O2S/c1-3-19(22(2,20)21)11-6-4-5-10(7-11)13-17-12-8-15-9-16-14(12)18-13/h4-9H,3H2,1-2H3,(H,15,16,17,18)
InChI Key:
SRTGZYZLPGIGRO-UHFFFAOYSA-N
SMILES:
CCN(S(=O)(=O)C)c1cccc(c1)c1nc2c(n1)c[nH]cn2
Properties
Complexity:
480
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.095g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
317.367g/mol
Monoisotopic Mass:
317.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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