
 CHEMBL361203

 29 30  0  0  0  0  0  0  0  0999 V2000
   -1.2571    1.5036    0.1288 C   0  0  0  0  0
   -2.4641    0.6678   -0.3281 C   0  0  0  0  0
   -2.4490   -0.6482    0.3419 N   0  0  0  0  0
   -1.2921   -1.4292   -0.1040 C   0  0  0  0  0
    0.0159   -0.6764   -0.0039 C   0  0  0  0  0
    0.0395    0.7309    0.0584 C   0  0  0  0  0
    1.2646    1.4119    0.1147 C   0  0  0  0  0
    2.4658    0.7043    0.0870 C   0  0  0  0  0
    2.4411   -0.6899    0.0188 C   0  0  0  0  0
    1.2275   -1.3819   -0.0411 C   0  0  0  0  0
    3.9628   -1.5873   -0.0528 S   0  0  0  0  0
    3.7213   -2.8901   -0.6277 O   0  0  0  0  0
    5.0098   -0.7135   -0.5297 O   0  0  0  0  0
    4.2876   -1.8532    1.5722 N   0  0  0  0  0
   -3.7711    1.4088   -0.0279 C   0  0  0  0  0
   -4.8137    0.6860   -0.5285 F   0  0  0  0  0
   -1.3954    1.8344    1.1665 H   0  0  0  0  0
   -1.1832    2.3989   -0.5011 H   0  0  0  0  0
   -2.4194    0.5045   -1.4137 H   0  0  0  0  0
   -3.3052   -1.1498    0.0985 H   0  0  0  0  0
   -1.4353   -1.7475   -1.1440 H   0  0  0  0  0
   -1.2379   -2.3312    0.5162 H   0  0  0  0  0
    1.2865    2.4978    0.1797 H   0  0  0  0  0
    3.4098    1.2434    0.1207 H   0  0  0  0  0
    1.2216   -2.4679   -0.1143 H   0  0  0  0  0
    5.1547   -1.3842    1.8342 H   0  0  0  0  0
    4.2824   -2.8542    1.7683 H   0  0  0  0  0
   -3.7891    2.3917   -0.5085 H   0  0  0  0  0
   -3.9351    1.5380    1.0468 H   0  0  0  0  0
  1  2  1  0  0  0
  1  6  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  2  3  1  0  0  0
  2 15  1  0  0  0
  2 19  1  0  0  0
  3  4  1  0  0  0
  3 20  1  0  0  0
  4  5  1  0  0  0
  4 21  1  0  0  0
  4 22  1  0  0  0
  5 10  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 23  1  0  0  0
  8  9  1  0  0  0
  8 24  1  0  0  0
  9 10  2  0  0  0
  9 11  1  0  0  0
 10 25  1  0  0  0
 11 14  1  0  0  0
 11 13  2  0  0  0
 11 12  2  0  0  0
 14 26  1  0  0  0
 14 27  1  0  0  0
 15 16  1  0  0  0
 15 28  1  0  0  0
 15 29  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL361203

>  <PubChem CID>
11460195

>  <Formula>
C10H13FN2O2S

>  <Molecular Weight>
244.284000

>  <IUPAC Name>
(3R)-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide

>  <XlogP>
0.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1C(NCC2=C1C=CC(=C2)S(=O)(=O)N)CF

>  <Isomeric SMILES>
C1[C@@H](NCC2=C1C=CC(=C2)S(=O)(=O)N)CF

>  <InChI Std. ID>
InChI=1S/C10H13FN2O2S/c11-5-9-3-7-1-2-10(16(12,14)15)4-8(7)6-13-9/h1-2,4,9,13H,3,5-6H2,(H2,12,14,15)/t9-/m1/s1

>  <InChI Key>
JRESBJUYAQJNMA-SECBINFHSA-N

