
 SCHEMBL4440843

 45 47  0  0  0  0  0  0  0  0999 V2000
    5.2067   -0.6695    5.6967 C   0  0  0  0  0
    5.8739   -0.5329    4.3662 C   0  0  0  0  0
    6.8626   -1.4156    3.9567 C   0  0  0  0  0
    7.5159   -1.3322    2.7745 N   0  0  0  0  0
    7.1801   -0.3283    1.9252 C   0  0  0  0  0
    6.2179    0.6207    2.2793 C   0  0  0  0  0
    5.5646    0.5182    3.5072 C   0  0  0  0  0
    7.8956   -0.2616    0.6303 C   0  0  0  0  0
    8.0795    1.0101    0.1605 N   0  0  0  0  0
    8.7135    1.2029   -1.0072 C   0  0  0  0  0
    9.1805    0.1788   -1.7336 N   0  0  0  0  0
    8.9871   -1.0693   -1.2594 C   0  0  0  0  0
    8.3433   -1.3612   -0.0805 C   0  0  0  0  0
    8.1087   -3.0114    0.3375 Cl  0  0  0  0  0
    8.8790    2.5130   -1.4829 N   0  0  0  0  0
    9.8589    2.6086   -2.5691 C   0  0  0  0  0
    9.9315    4.0322   -3.1097 C   0  0  0  0  0
   10.1765    5.0519   -2.0011 C   0  0  0  0  0
    9.0704    4.9239   -0.9530 C   0  0  0  0  0
    8.9446    3.5032   -0.4050 C   0  0  0  0  0
   11.5063    4.8824   -1.3369 N   0  0  0  0  0
   12.8692    5.2867   -2.2637 S   0  0  0  0  0
   13.1350    4.1464   -3.1081 O   0  0  0  0  0
   12.6772    6.6153   -2.7950 O   0  0  0  0  0
   14.1190    5.3436   -0.9984 C   0  0  0  0  0
    5.3008   -1.6895    6.0844 H   0  0  0  0  0
    4.1369   -0.4504    5.6149 H   0  0  0  0  0
    5.6580    0.0198    6.4171 H   0  0  0  0  0
    7.1713   -2.2488    4.5834 H   0  0  0  0  0
    5.9725    1.4351    1.6035 H   0  0  0  0  0
    4.8167    1.2578    3.7807 H   0  0  0  0  0
    9.3771   -1.8580   -1.8978 H   0  0  0  0  0
    9.5756    1.9589   -3.4064 H   0  0  0  0  0
   10.8500    2.2898   -2.2227 H   0  0  0  0  0
   10.6972    4.0940   -3.8893 H   0  0  0  0  0
    8.9784    4.2708   -3.6023 H   0  0  0  0  0
   10.1253    6.0656   -2.4160 H   0  0  0  0  0
    9.2428    5.6206   -0.1245 H   0  0  0  0  0
    8.1140    5.2098   -1.4131 H   0  0  0  0  0
    9.7935    3.2892    0.2565 H   0  0  0  0  0
    8.0347    3.4749    0.2073 H   0  0  0  0  0
   11.6265    3.9407   -0.9591 H   0  0  0  0  0
   13.8740    6.1344   -0.2864 H   0  0  0  0  0
   15.0767    5.5553   -1.4817 H   0  0  0  0  0
   14.1640    4.3708   -0.5061 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 29  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  2  0  0  0
  6 30  1  0  0  0
  7 31  1  0  0  0
  8 13  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
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 10 15  1  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
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 13 14  1  0  0  0
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 17 35  1  0  0  0
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 19 20  1  0  0  0
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 21 22  1  0  0  0
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 25 45  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL4440843

>  <PubChem CID>
69045593

>  <Formula>
C16H20ClN5O2S

>  <Molecular Weight>
381.879000

>  <IUPAC Name>
N-[1-[5-chloro-4-(5-methylpyridin-2-yl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide

>  <XlogP>
1.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=CN=C(C=C1)C2=NC(=NC=C2Cl)N3CCC(CC3)NS(=O)(=O)C

>  <Isomeric SMILES>
CC1=CN=C(C=C1)C2=NC(=NC=C2Cl)N3CCC(CC3)NS(=O)(=O)C

>  <InChI Std. ID>
InChI=1S/C16H20ClN5O2S/c1-11-3-4-14(18-9-11)15-13(17)10-19-16(20-15)22-7-5-12(6-8-22)21-25(2,23)24/h3-4,9-10,12,21H,5-8H2,1-2H3

>  <InChI Key>
BDNGRZRQJSFVDU-UHFFFAOYSA-N

