
 CHEMBL79054

 29 30  0  0  0  0  0  0  0  0999 V2000
    5.0799    2.5453   -0.1065 C   0  0  0  0  0
    4.6162    1.2008   -0.5178 C   0  0  0  0  0
    3.3316    0.7364   -0.6991 C   0  0  0  0  0
    3.3714   -0.5389   -1.1658 O   0  0  0  0  0
    4.6799   -0.9671   -1.2404 N   0  0  0  0  0
    5.4233    0.0738   -0.8483 C   0  0  0  0  0
    6.8997   -0.0522   -0.8340 C   0  0  0  0  0
    2.1075    1.4555   -0.5461 N   0  0  0  0  0
    1.6284    1.5200    1.0892 S   0  0  0  0  0
    1.0705    0.2379    1.4544 O   0  0  0  0  0
    2.6849    2.1360    1.8660 O   0  0  0  0  0
    0.2787    2.6767    1.0350 C   0  0  0  0  0
   -0.8353    2.4641    0.2156 C   0  0  0  0  0
   -1.8869    3.3879    0.2254 C   0  0  0  0  0
   -1.8260    4.5081    1.0524 C   0  0  0  0  0
   -0.7220    4.7206    1.8743 C   0  0  0  0  0
    0.3327    3.8058    1.8674 C   0  0  0  0  0
   -3.1257    5.6346    1.0603 Cl  0  0  0  0  0
   -1.0049    1.1123   -0.8468 Cl  0  0  0  0  0
    5.7993    2.9370   -0.8338 H   0  0  0  0  0
    5.5720    2.4990    0.8702 H   0  0  0  0  0
    4.2571    3.2635   -0.0436 H   0  0  0  0  0
    7.3709    0.7956   -0.3279 H   0  0  0  0  0
    7.2871   -0.0956   -1.8571 H   0  0  0  0  0
    7.2048   -0.9646   -0.3108 H   0  0  0  0  0
    1.3893    0.8936   -1.0162 H   0  0  0  0  0
   -2.7568    3.2345   -0.4098 H   0  0  0  0  0
   -0.6785    5.5915    2.5248 H   0  0  0  0  0
    1.1857    3.9783    2.5228 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  6  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  7 23  1  0  0  0
  7 24  1  0  0  0
  7 25  1  0  0  0
  8  9  1  0  0  0
  8 26  1  0  0  0
  9 12  1  0  0  0
  9 11  2  0  0  0
  9 10  2  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 19  1  0  0  0
 14 15  2  0  0  0
 14 27  1  0  0  0
 15 16  1  0  0  0
 15 18  1  0  0  0
 16 17  2  0  0  0
 16 28  1  0  0  0
 17 29  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL79054

>  <PubChem CID>
18617299

>  <Formula>
C11H10Cl2N2O3S

>  <Molecular Weight>
321.172000

>  <IUPAC Name>
2,4-dichloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide

>  <XlogP>
2.900

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=C(ON=C1C)NS(=O)(=O)C2=C(C=C(C=C2)Cl)Cl

>  <Isomeric SMILES>
CC1=C(ON=C1C)NS(=O)(=O)C2=C(C=C(C=C2)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C11H10Cl2N2O3S/c1-6-7(2)14-18-11(6)15-19(16,17)10-4-3-8(12)5-9(10)13/h3-5,15H,1-2H3

>  <InChI Key>
BKOUWZNEIBPFLN-UHFFFAOYSA-N

