
 GTPL9679

 29 30  0  0  0  0  0  0  0  0999 V2000
    4.6160    0.2362    4.2933 C   0  0  0  0  0
    4.1208    0.5110    2.9876 O   0  0  0  0  0
    4.6026    1.6985    2.4693 C   0  0  0  0  0
    5.1596    2.6148    3.2981 N   0  0  0  0  0
    5.5542    3.7570    2.6939 C   0  0  0  0  0
    5.3795    3.9895    1.3342 C   0  0  0  0  0
    4.8033    3.0896    0.4968 N   0  0  0  0  0
    4.4263    1.9423    1.0964 C   0  0  0  0  0
    3.9290    0.9838    0.1754 N   0  0  0  0  0
    5.1171   -0.1233   -0.3058 S   0  0  0  0  0
    5.5762    0.2580   -1.6216 O   0  0  0  0  0
    6.0616   -0.3234    0.7755 O   0  0  0  0  0
    4.1909   -1.6271   -0.4838 C   0  0  0  0  0
    3.1253   -1.7349   -1.3877 C   0  0  0  0  0
    2.4697   -2.9739   -1.5030 C   0  0  0  0  0
    2.8748   -4.0737   -0.7369 C   0  0  0  0  0
    3.9344   -3.9538    0.1569 C   0  0  0  0  0
    4.5920   -2.7336    0.2850 C   0  0  0  0  0
    1.1376   -3.2274   -2.5820 Cl  0  0  0  0  0
    2.5880   -0.3929   -2.3486 Cl  0  0  0  0  0
    6.1306    4.7016    3.4493 F   0  0  0  0  0
    4.2002   -0.7255    4.6107 H   0  0  0  0  0
    4.2892    0.9908    5.0172 H   0  0  0  0  0
    5.7078    0.1436    4.2861 H   0  0  0  0  0
    5.7101    4.9192    0.8856 H   0  0  0  0  0
    3.6527    1.4996   -0.6639 H   0  0  0  0  0
    2.3657   -5.0303   -0.8360 H   0  0  0  0  0
    4.2513   -4.8105    0.7485 H   0  0  0  0  0
    5.4261   -2.6576    0.9819 H   0  0  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
  3  8  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5 21  1  0  0  0
  6  7  1  0  0  0
  6 25  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 26  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 20  1  0  0  0
 15 16  2  0  0  0
 15 19  1  0  0  0
 16 17  1  0  0  0
 16 27  1  0  0  0
 17 18  2  0  0  0
 17 28  1  0  0  0
 18 29  1  0  0  0
M  END

>  <Chemical Name>
GTPL9679

>  <PubChem CID>
23585443

>  <Formula>
C11H8Cl2FN3O3S

>  <Molecular Weight>
352.161000

>  <IUPAC Name>
2,3-dichloro-N-(5-fluoro-3-methoxypyrazin-2-yl)benzenesulfonamide

>  <XlogP>
2.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
COC1=NC(=CN=C1NS(=O)(=O)C2=C(C(=CC=C2)Cl)Cl)F

>  <Isomeric SMILES>
COC1=NC(=CN=C1NS(=O)(=O)C2=C(C(=CC=C2)Cl)Cl)F

>  <InChI Std. ID>
InChI=1S/C11H8Cl2FN3O3S/c1-20-11-10(15-5-8(14)16-11)17-21(18,19)7-4-2-3-6(12)9(7)13/h2-5H,1H3,(H,15,17)

>  <InChI Key>
NWSUDJQTTGDPIR-UHFFFAOYSA-N

