
 BDBM50159175

 46 49  0  0  0  0  0  0  0  0999 V2000
   -1.9220    1.1074   -4.7436 C   0  0  0  0  0
   -1.4409    2.5156   -4.4597 C   0  0  0  0  0
   -1.0008    2.4598   -3.0014 C   0  0  0  0  0
   -2.0034    1.5663   -2.3918 N   0  0  0  0  0
   -2.4579    0.6169   -3.4087 C   0  0  0  0  0
    0.4406    1.9444   -2.7985 C   0  0  0  0  0
    1.5188    2.8407   -3.3422 C   0  0  0  0  0
    1.5124    4.2220   -3.4005 C   0  0  0  0  0
    2.6948    4.6412   -3.9475 N   0  0  0  0  0
    3.5005    3.5623   -4.2191 C   0  0  0  0  0
    2.7851    2.4168   -3.8693 C   0  0  0  0  0
    3.3913    1.1581   -4.0733 C   0  0  0  0  0
    4.6847    1.0985   -4.6019 C   0  0  0  0  0
    5.3833    2.2624   -4.9117 C   0  0  0  0  0
    4.7982    3.5194   -4.7407 C   0  0  0  0  0
    5.3151   -0.1583   -4.8181 N   0  0  0  0  0
    6.3666   -0.7570   -3.6349 S   0  0  0  0  0
    6.8748   -2.0247   -4.1121 O   0  0  0  0  0
    7.2770    0.3014   -3.2512 O   0  0  0  0  0
    5.3176   -1.1107   -2.2491 C   0  0  0  0  0
    5.5992   -0.4956   -1.0204 C   0  0  0  0  0
    4.8331   -0.7969    0.1062 C   0  0  0  0  0
    3.7861   -1.7109    0.0122 C   0  0  0  0  0
    3.5025   -2.3225   -1.2107 C   0  0  0  0  0
    4.2684   -2.0301   -2.3458 C   0  0  0  0  0
    3.8108   -2.8246   -3.8104 Cl  0  0  0  0  0
   -2.6795    1.0851   -5.5328 H   0  0  0  0  0
   -1.0803    0.4816   -5.0633 H   0  0  0  0  0
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   -0.6558    2.8274   -5.1539 H   0  0  0  0  0
   -1.0972    3.4503   -2.5431 H   0  0  0  0  0
   -1.6318    1.0822   -1.5769 H   0  0  0  0  0
   -2.1016   -0.3964   -3.1961 H   0  0  0  0  0
   -3.5526    0.5942   -3.4137 H   0  0  0  0  0
    0.5436    0.9451   -3.2399 H   0  0  0  0  0
    0.6284    1.8247   -1.7226 H   0  0  0  0  0
    0.7661    4.9466   -3.1031 H   0  0  0  0  0
    2.9510    5.6055   -4.1136 H   0  0  0  0  0
    2.8462    0.2552   -3.8213 H   0  0  0  0  0
    6.3941    2.1979   -5.3098 H   0  0  0  0  0
    5.3388    4.4239   -5.0019 H   0  0  0  0  0
    4.7400   -0.9009   -5.2165 H   0  0  0  0  0
    6.4232    0.2110   -0.9262 H   0  0  0  0  0
    5.0593   -0.3256    1.0606 H   0  0  0  0  0
    3.1923   -1.9523    0.8913 H   0  0  0  0  0
    2.6823   -3.0352   -1.2681 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  2 30  1  0  0  0
  3  4  1  0  0  0
  3  6  1  0  0  0
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  4  5  1  0  0  0
  4 32  1  0  0  0
  5 33  1  0  0  0
  5 34  1  0  0  0
  6  7  1  0  0  0
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  7 11  1  0  0  0
  7  8  2  0  0  0
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  8 37  1  0  0  0
  9 10  1  0  0  0
  9 38  1  0  0  0
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 10 15  1  0  0  0
 11 12  1  0  0  0
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 12 39  1  0  0  0
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M  END

>  <Chemical Name>
BDBM50159175

>  <PubChem CID>
44400930

>  <Formula>
C19H20ClN3O2S

>  <Molecular Weight>
389.898000

>  <IUPAC Name>
2-chloro-N-[3-(pyrrolidin-2-ylmethyl)-1H-indol-5-yl]benzenesulfonamide

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CC(NC1)CC2=CNC3=C2C=C(C=C3)NS(=O)(=O)C4=CC=CC=C4Cl

>  <Isomeric SMILES>
C1CC(NC1)CC2=CNC3=C2C=C(C=C3)NS(=O)(=O)C4=CC=CC=C4Cl

>  <InChI Std. ID>
InChI=1S/C19H20ClN3O2S/c20-17-5-1-2-6-19(17)26(24,25)23-15-7-8-18-16(11-15)13(12-22-18)10-14-4-3-9-21-14/h1-2,5-8,11-12,14,21-23H,3-4,9-10H2

>  <InChI Key>
CZEUYEVFOZRSCP-UHFFFAOYSA-N

