
 SCHEMBL343292

 43 46  0  0  0  0  0  0  0  0999 V2000
    9.5372   -3.8363    0.6254 C   0  0  0  0  0
    8.7203   -3.0191   -0.1620 C   0  0  0  0  0
    7.3329   -3.1524   -0.0842 C   0  0  0  0  0
    6.7628   -4.1277    0.7375 C   0  0  0  0  0
    7.5866   -4.9375    1.5267 C   0  0  0  0  0
    8.9826   -4.7960    1.4887 C   0  0  0  0  0
    9.8284   -5.6287    2.3299 C   0  0  0  0  0
    9.6904   -6.8328    2.9881 C   0  0  0  0  0
   10.8324   -7.1275    3.6908 N   0  0  0  0  0
   11.6154   -6.1045    3.4366 C   0  0  0  0  0
   11.0850   -5.1572    2.6162 O   0  0  0  0  0
    6.2837   -2.1343   -1.0975 S   0  0  0  0  0
    7.0826   -1.6678   -2.2104 O   0  0  0  0  0
    5.0389   -2.8409   -1.3127 O   0  0  0  0  0
    5.9973   -0.7809   -0.1086 N   0  0  0  0  0
    4.8963   -0.8704    0.8103 C   0  0  0  0  0
    3.5881   -0.5014    0.4466 C   0  0  0  0  0
    2.5508   -0.6172    1.3853 C   0  0  0  0  0
    2.8100   -1.1462    2.6478 C   0  0  0  0  0
    4.0990   -1.5403    2.9983 C   0  0  0  0  0
    5.1426   -1.3969    2.0822 C   0  0  0  0  0
    1.5306   -1.2993    3.7856 Cl  0  0  0  0  0
    3.3246    0.0931   -0.8901 C   0  0  0  0  0
    4.1864    0.8239   -1.3844 O   0  0  0  0  0
    2.0496   -0.1618   -1.6195 C   0  0  0  0  0
    1.3118   -1.2215   -1.2227 N   0  0  0  0  0
    0.1725   -1.4168   -1.8973 C   0  0  0  0  0
   -0.2919   -0.6476   -2.8915 N   0  0  0  0  0
    0.4829    0.3936   -3.2477 C   0  0  0  0  0
    1.6822    0.6838   -2.6453 C   0  0  0  0  0
   10.6179   -3.7230    0.5543 H   0  0  0  0  0
    9.1740   -2.2894   -0.8314 H   0  0  0  0  0
    5.6835   -4.2582    0.7783 H   0  0  0  0  0
    7.1208   -5.6723    2.1799 H   0  0  0  0  0
    8.8384   -7.4974    2.9943 H   0  0  0  0  0
   12.6184   -5.9248    3.7985 H   0  0  0  0  0
    5.9495    0.0445   -0.7232 H   0  0  0  0  0
    1.5404   -0.2936    1.1463 H   0  0  0  0  0
    4.2994   -1.9484    3.9867 H   0  0  0  0  0
    6.1504   -1.6813    2.3754 H   0  0  0  0  0
   -0.4330   -2.2700   -1.6105 H   0  0  0  0  0
    0.0960    1.0058   -4.0569 H   0  0  0  0  0
    2.2889    1.5259   -2.9517 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  2  0  0  0
  1 31  1  0  0  0
  2  3  1  0  0  0
  2 32  1  0  0  0
  3  4  2  0  0  0
  3 12  1  0  0  0
  4  5  1  0  0  0
  4 33  1  0  0  0
  5  6  2  0  0  0
  5 34  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 11  1  0  0  0
  8  9  1  0  0  0
  8 35  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 36  1  0  0  0
 12 15  1  0  0  0
 12 14  2  0  0  0
 12 13  2  0  0  0
 15 16  1  0  0  0
 15 37  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 23  1  0  0  0
 18 19  2  0  0  0
 18 38  1  0  0  0
 19 20  1  0  0  0
 19 22  1  0  0  0
 20 21  2  0  0  0
 20 39  1  0  0  0
 21 40  1  0  0  0
 23 25  1  0  0  0
 23 24  2  0  0  0
 25 26  2  0  0  0
 25 30  1  0  0  0
 26 27  1  0  0  0
 27 28  2  0  0  0
 27 41  1  0  0  0
 28 29  1  0  0  0
 29 30  2  0  0  0
 29 42  1  0  0  0
 30 43  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL343292

>  <PubChem CID>
10343213

>  <Formula>
C20H13ClN4O4S

>  <Molecular Weight>
440.858000

>  <IUPAC Name>
N-[4-chloro-2-(pyrimidine-4-carbonyl)phenyl]-4-(1,3-oxazol-5-yl)benzenesulfonamide

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
C1=CC(=CC=C1C2=CN=CO2)S(=O)(=O)NC3=C(C=C(C=C3)Cl)C(=O)C4=NC=NC=C4

>  <Isomeric SMILES>
C1=CC(=CC=C1C2=CN=CO2)S(=O)(=O)NC3=C(C=C(C=C3)Cl)C(=O)C4=NC=NC=C4

>  <InChI Std. ID>
InChI=1S/C20H13ClN4O4S/c21-14-3-6-17(16(9-14)20(26)18-7-8-22-11-24-18)25-30(27,28)15-4-1-13(2-5-15)19-10-23-12-29-19/h1-12,25H

>  <InChI Key>
GAOKHIDHUOBEGG-UHFFFAOYSA-N

