
 CHEMBL95873

 29 30  0  0  0  0  0  0  0  0999 V2000
   -1.2807    1.4868    0.1953 C   0  0  0  0  0
   -2.4831    0.6389   -0.2517 C   0  0  0  0  0
   -2.4335   -0.6873    0.3964 N   0  0  0  0  0
   -1.2738   -1.4422   -0.0857 C   0  0  0  0  0
    0.0239   -0.6699   -0.0007 C   0  0  0  0  0
    0.0264    0.7364    0.0863 C   0  0  0  0  0
    1.2413    1.4362    0.1296 C   0  0  0  0  0
    2.4529    0.7490    0.0615 C   0  0  0  0  0
    2.4488   -0.6439   -0.0335 C   0  0  0  0  0
    1.2453   -1.3547   -0.0786 C   0  0  0  0  0
    3.9830   -1.5135   -0.1637 S   0  0  0  0  0
    3.7461   -2.8109   -0.7542 O   0  0  0  0  0
    5.0005   -0.6152   -0.6548 O   0  0  0  0  0
    4.3587   -1.8020    1.4468 N   0  0  0  0  0
   -3.7958    1.3534    0.0853 C   0  0  0  0  0
   -4.8362    0.6203   -0.4050 F   0  0  0  0  0
   -1.4038    1.7986    1.2407 H   0  0  0  0  0
   -1.2337    2.3929   -0.4214 H   0  0  0  0  0
   -2.4571    0.4935   -1.3405 H   0  0  0  0  0
   -3.2864   -1.1987    0.1623 H   0  0  0  0  0
   -1.4337   -1.7464   -1.1275 H   0  0  0  0  0
   -1.1921   -2.3527    0.5187 H   0  0  0  0  0
    1.2473    2.5208    0.2144 H   0  0  0  0  0
    3.3887    1.3025    0.0842 H   0  0  0  0  0
    1.2551   -2.4388   -0.1724 H   0  0  0  0  0
    5.2257   -1.3231    1.6912 H   0  0  0  0  0
    4.3760   -2.8062    1.6247 H   0  0  0  0  0
   -3.8397    2.3425   -0.3806 H   0  0  0  0  0
   -3.9402    1.4645    1.1648 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>
CHEMBL95873

>  <PubChem CID>
10399576

>  <Formula>
C10H13FN2O2S

>  <Molecular Weight>
244.284000

>  <IUPAC Name>
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>
C1C(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)

>  <InChI Key>
JRESBJUYAQJNMA-UHFFFAOYSA-N

