
 184040-74-2

 26 27  0  0  0  0  0  0  0  0999 V2000
   11.8176   -4.5834   -1.0669 C   0  0  0  0  0
   10.6604   -4.7054   -0.1520 C   0  0  0  0  0
   10.5188   -5.7911    0.6211 N   0  0  0  0  0
    9.3533   -5.5909    1.3406 O   0  0  0  0  0
    8.7702   -4.4234    0.9539 C   0  0  0  0  0
    9.5940   -3.7942    0.0469 C   0  0  0  0  0
    9.4342   -2.2732   -0.6845 Cl  0  0  0  0  0
    7.5083   -3.9768    1.4516 N   0  0  0  0  0
    6.2596   -4.3255    0.3493 S   0  0  0  0  0
    4.9947   -4.0342    0.9849 O   0  0  0  0  0
    6.5882   -3.8112   -0.9610 O   0  0  0  0  0
    6.1996   -6.0557    0.1250 C   0  0  0  0  0
    5.8964   -6.9540    1.1343 C   0  0  0  0  0
    5.9473   -8.5677    0.5608 S   0  0  0  0  0
    6.3552   -8.0696   -1.0226 C   0  0  0  0  0
    6.4479   -6.7007   -1.1261 C   0  0  0  0  0
    5.6273   -6.6594    2.5212 C   0  0  0  0  0
    6.0810   -5.7150    3.1531 O   0  0  0  0  0
    4.7865   -7.5448    3.0901 O   0  0  0  0  0
   12.3869   -3.6701   -0.8520 H   0  0  0  0  0
   11.4793   -4.5399   -2.1069 H   0  0  0  0  0
   12.5008   -5.4332   -0.9719 H   0  0  0  0  0
    7.2494   -4.4358    2.3362 H   0  0  0  0  0
    6.5022   -8.8063   -1.8019 H   0  0  0  0  0
    6.6838   -6.1880   -2.0507 H   0  0  0  0  0
    4.6396   -7.2180    3.9990 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
  4  5  1  0  0  0
  5  6  2  0  0  0
  5  8  1  0  0  0
  6  7  1  0  0  0
  8  9  1  0  0  0
  8 23  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 16  1  0  0  0
 13 14  1  0  0  0
 13 17  1  0  0  0
 14 15  1  0  0  0
 15 16  2  0  0  0
 15 24  1  0  0  0
 16 25  1  0  0  0
 17 19  1  0  0  0
 17 18  2  0  0  0
 19 26  1  0  0  0
M  END

>  <Chemical Name>
184040-74-2

>  <PubChem CID>
10805820

>  <Formula>
C9H7ClN2O5S2

>  <Molecular Weight>
322.734000

>  <IUPAC Name>
3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxylic acid

>  <XlogP>
1.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC1=NOC(=C1Cl)NS(=O)(=O)C2=C(SC=C2)C(=O)O

>  <Isomeric SMILES>
CC1=NOC(=C1Cl)NS(=O)(=O)C2=C(SC=C2)C(=O)O

>  <InChI Std. ID>
InChI=1S/C9H7ClN2O5S2/c1-4-6(10)8(17-11-4)12-19(15,16)5-2-3-18-7(5)9(13)14/h2-3,12H,1H3,(H,13,14)

>  <InChI Key>
BFHXYQAPYRDEDW-UHFFFAOYSA-N

