
 Sulfiodizole

 28 29  0  0  0  0  0  0  0  0999 V2000
    2.9728    1.4383   -1.7514 C   0  0  0  0  0
    4.3739    1.6259   -1.3322 C   0  0  0  0  0
    5.1175    1.3370   -0.2177 C   0  0  0  0  0
    6.4313    1.7362   -0.5343 C   0  0  0  0  0
    6.4817    2.2899   -1.7492 N   0  0  0  0  0
    5.1937    2.2096   -2.2538 O   0  0  0  0  0
    7.5620    1.6333    0.2784 N   0  0  0  0  0
    8.5770    0.3090   -0.0260 S   0  0  0  0  0
    8.8006   -0.2776    1.2806 O   0  0  0  0  0
    8.0723   -0.4880   -1.1212 O   0  0  0  0  0
   10.0843    1.0782   -0.5471 C   0  0  0  0  0
   11.2534    0.8959    0.1936 C   0  0  0  0  0
   12.4488    1.4616   -0.2582 C   0  0  0  0  0
   12.4790    2.2430   -1.4179 C   0  0  0  0  0
   11.3106    2.3663   -2.1772 C   0  0  0  0  0
   10.1089    1.8018   -1.7403 C   0  0  0  0  0
   13.7021    2.6865   -1.9330 N   0  0  0  0  0
    4.4820    0.4519    1.4819 I   0  0  0  0  0
    2.3200    1.2162   -0.9027 H   0  0  0  0  0
    2.9004    0.6088   -2.4619 H   0  0  0  0  0
    2.5908    2.3407   -2.2390 H   0  0  0  0  0
    7.3519    1.5884    1.2758 H   0  0  0  0  0
   11.2554    0.2950    1.0999 H   0  0  0  0  0
   13.3633    1.2781    0.3004 H   0  0  0  0  0
   11.3282    2.8977   -3.1256 H   0  0  0  0  0
    9.2120    1.9100   -2.3462 H   0  0  0  0  0
   13.6194    3.4718   -2.5712 H   0  0  0  0  0
   14.4169    2.8375   -1.2283 H   0  0  0  0  0
  1  2  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2  6  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 18  1  0  0  0
  4  5  2  0  0  0
  4  7  1  0  0  0
  5  6  1  0  0  0
  7  8  1  0  0  0
  7 22  1  0  0  0
  8 11  1  0  0  0
  8 10  2  0  0  0
  8  9  2  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 23  1  0  0  0
 13 14  2  0  0  0
 13 24  1  0  0  0
 14 15  1  0  0  0
 14 17  1  0  0  0
 15 16  2  0  0  0
 15 25  1  0  0  0
 16 26  1  0  0  0
 17 27  1  0  0  0
 17 28  1  0  0  0
M  END

>  <Chemical Name>
Sulfiodizole

>  <PubChem CID>
120533

>  <Formula>
C10H10IN3O3S

>  <Molecular Weight>
379.172000

>  <IUPAC Name>
4-amino-N-(4-iodo-5-methyl-1,2-oxazol-3-yl)benzenesulfonamide

>  <XlogP>
1.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=C(C(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N)I

>  <Isomeric SMILES>
CC1=C(C(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N)I

>  <InChI Std. ID>
InChI=1S/C10H10IN3O3S/c1-6-9(11)10(13-17-6)14-18(15,16)8-4-2-7(12)3-5-8/h2-5H,12H2,1H3,(H,13,14)

>  <InChI Key>
FCLGWHGVNGNUQT-UHFFFAOYSA-N

