
 CHEMBL320589

 30 31  0  0  0  0  0  0  0  0999 V2000
    0.5333    1.9902   -1.3613 C   0  0  0  0  0
    1.6953    2.3699   -0.4652 C   0  0  0  0  0
    3.1717    1.4488   -0.8824 S   0  0  0  0  0
    2.9184    0.0476   -0.6171 O   0  0  0  0  0
    3.6789    1.8862   -2.1632 O   0  0  0  0  0
    4.2260    1.9396    0.3505 N   0  0  0  0  0
    5.0980    3.0311    0.0663 C   0  0  0  0  0
    4.6902    4.3255    0.3776 C   0  0  0  0  0
    5.5259    5.4006    0.0842 C   0  0  0  0  0
    6.7600    5.1778   -0.5321 C   0  0  0  0  0
    7.1698    3.8803   -0.8709 C   0  0  0  0  0
    6.3236    2.8054   -0.5646 C   0  0  0  0  0
    8.4563    3.6663   -1.5261 C   0  0  0  0  0
    9.6642    4.3351   -1.4351 C   0  0  0  0  0
   10.6117    3.7817   -2.2575 N   0  0  0  0  0
   10.0008    2.7916   -2.8631 C   0  0  0  0  0
    8.7007    2.6843   -2.4604 N   0  0  0  0  0
   -0.3544    2.5740   -1.0999 H   0  0  0  0  0
    0.2861    0.9290   -1.2578 H   0  0  0  0  0
    0.7693    2.1778   -2.4135 H   0  0  0  0  0
    1.4539    2.1539    0.5798 H   0  0  0  0  0
    1.9234    3.4332   -0.5767 H   0  0  0  0  0
    4.6790    1.1125    0.7450 H   0  0  0  0  0
    3.7368    4.5049    0.8650 H   0  0  0  0  0
    5.2192    6.4139    0.3325 H   0  0  0  0  0
    7.3918    6.0337   -0.7616 H   0  0  0  0  0
    6.6150    1.7885   -0.8095 H   0  0  0  0  0
    9.9033    5.1862   -0.8100 H   0  0  0  0  0
   10.4398    2.1291   -3.5973 H   0  0  0  0  0
    8.0287    2.0170   -2.8122 H   0  0  0  0  0
  1  2  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  2  3  1  0  0  0
  2 21  1  0  0  0
  2 22  1  0  0  0
  3  6  1  0  0  0
  3  5  2  0  0  0
  3  4  2  0  0  0
  6  7  1  0  0  0
  6 23  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 24  1  0  0  0
  9 10  2  0  0  0
  9 25  1  0  0  0
 10 11  1  0  0  0
 10 26  1  0  0  0
 11 12  2  0  0  0
 11 13  1  0  0  0
 12 27  1  0  0  0
 13 14  2  0  0  0
 13 17  1  0  0  0
 14 15  1  0  0  0
 14 28  1  0  0  0
 15 16  2  0  0  0
 16 17  1  0  0  0
 16 29  1  0  0  0
 17 30  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL320589

>  <PubChem CID>
11470732

>  <Formula>
C11H13N3O2S

>  <Molecular Weight>
251.304000

>  <IUPAC Name>
N-[3-(1H-imidazol-5-yl)phenyl]ethanesulfonamide

>  <XlogP>
1.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCS(=O)(=O)NC1=CC=CC(=C1)C2=CN=CN2

>  <Isomeric SMILES>
CCS(=O)(=O)NC1=CC=CC(=C1)C2=CN=CN2

>  <InChI Std. ID>
InChI=1S/C11H13N3O2S/c1-2-17(15,16)14-10-5-3-4-9(6-10)11-7-12-8-13-11/h3-8,14H,2H2,1H3,(H,12,13)

>  <InChI Key>
QQPSPRDCHYIONU-UHFFFAOYSA-N

