
 CHEMBL1933396

 38 39  0  0  0  0  0  0  0  0999 V2000
   -1.7419    0.7761   -1.8025 C   0  0  0  0  0
   -0.3951    0.5408   -2.3263 N   0  0  0  0  0
    0.0398   -0.8294   -2.0130 C   0  0  0  0  0
    1.4348   -1.0850   -2.5801 C   0  0  0  0  0
    2.4735   -0.1222   -1.9900 C   0  0  0  0  0
    1.9615    1.2981   -2.3103 C   0  0  0  0  0
    0.5428    1.5306   -1.7833 C   0  0  0  0  0
    2.7231   -0.3258   -0.5044 N   0  0  0  0  0
    3.3987    0.8255    0.1570 C   0  0  0  0  0
    3.3102   -1.8509    0.0550 S   0  0  0  0  0
    3.3995   -1.7887    1.5001 O   0  0  0  0  0
    2.5899   -2.9327   -0.5760 O   0  0  0  0  0
    4.9818   -1.8872   -0.5712 C   0  0  0  0  0
    5.2293   -2.3788   -1.8584 C   0  0  0  0  0
    6.5389   -2.4100   -2.3395 C   0  0  0  0  0
    7.5819   -1.9751   -1.5263 C   0  0  0  0  0
    7.3445   -1.5164   -0.2339 C   0  0  0  0  0
    6.0378   -1.4772    0.2534 C   0  0  0  0  0
    8.8367   -2.0048   -1.9929 F   0  0  0  0  0
   -2.0897    1.7790   -2.0743 H   0  0  0  0  0
   -1.7842    0.6810   -0.7112 H   0  0  0  0  0
   -2.4545    0.0673   -2.2383 H   0  0  0  0  0
   -0.6527   -1.5444   -2.4738 H   0  0  0  0  0
    0.0274   -1.0155   -0.9313 H   0  0  0  0  0
    1.7037   -2.1335   -2.4613 H   0  0  0  0  0
    1.4011   -0.9382   -3.6696 H   0  0  0  0  0
    3.4293   -0.2535   -2.5097 H   0  0  0  0  0
    2.6340    2.0745   -1.9322 H   0  0  0  0  0
    1.9564    1.4308   -3.4018 H   0  0  0  0  0
    0.2289    2.5359   -2.0901 H   0  0  0  0  0
    0.5383    1.5128   -0.6866 H   0  0  0  0  0
    4.2694    1.1495   -0.4208 H   0  0  0  0  0
    3.7259    0.5904    1.1728 H   0  0  0  0  0
    2.6998    1.6590    0.2653 H   0  0  0  0  0
    4.4145   -2.7361   -2.4842 H   0  0  0  0  0
    6.7556   -2.7771   -3.3381 H   0  0  0  0  0
    8.1785   -1.2004    0.3857 H   0  0  0  0  0
    5.8527   -1.1343    1.2694 H   0  0  0  0  0
  1  2  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  7  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 23  1  0  0  0
  3 24  1  0  0  0
  4  5  1  0  0  0
  4 25  1  0  0  0
  4 26  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  5 27  1  0  0  0
  6  7  1  0  0  0
  6 28  1  0  0  0
  6 29  1  0  0  0
  7 30  1  0  0  0
  7 31  1  0  0  0
  8 10  1  0  0  0
  8  9  1  0  0  0
  9 32  1  0  0  0
  9 33  1  0  0  0
  9 34  1  0  0  0
 10 13  1  0  0  0
 10 12  2  0  0  0
 10 11  2  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 35  1  0  0  0
 15 16  2  0  0  0
 15 36  1  0  0  0
 16 17  1  0  0  0
 16 19  1  0  0  0
 17 18  2  0  0  0
 17 37  1  0  0  0
 18 38  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1933396

>  <PubChem CID>
715057

>  <Formula>
C13H19FN2O2S

>  <Molecular Weight>
286.365000

>  <IUPAC Name>
4-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide

>  <XlogP>
1.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CN1CCC(CC1)N(C)S(=O)(=O)C2=CC=C(C=C2)F

>  <Isomeric SMILES>
CN1CCC(CC1)N(C)S(=O)(=O)C2=CC=C(C=C2)F

>  <InChI Std. ID>
InChI=1S/C13H19FN2O2S/c1-15-9-7-12(8-10-15)16(2)19(17,18)13-5-3-11(14)4-6-13/h3-6,12H,7-10H2,1-2H3

>  <InChI Key>
ABIQOIQMOXNLQX-UHFFFAOYSA-N

