12898
 OpenBabel05082101102D

 32 32  0  0  1  0  0  0  0  0999 V2000
    2.3660    1.8660    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    0.1340    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641    2.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641    0.6340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9501    3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7101    3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8862    0.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5062    2.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9781   -3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2181   -3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 19  1  0  0  0  0
  3  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4  8  1  0  0  0  0
  4 19  1  0  0  0  0
  5 19  1  0  0  0  0
  8 10  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 16  1  0  0  0  0
 11 20  1  0  0  0  0
 12 17  2  0  0  0  0
 12 21  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 22  1  0  0  0  0
 14 23  1  0  0  0  0
 14 24  1  0  0  0  0
 15 25  1  0  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
 16 28  1  0  0  0  0
 17 29  1  0  0  0  0
 18 30  1  0  0  0  0
 18 31  1  0  0  0  0
 18 32  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
12898

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
393

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMQBmAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHQYAQAAADAiBGIQywIIAAACAAiRCQDCCAAAgAgAIiAAIZIgIICKAkZGAIABggAAIyAcQgAAOCAAAAAAAAAAQAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)-4-methyl-aniline

>  <PUBCHEM_IUPAC_CAS_NAME>
1,1-dichloro-N-(dimethylsulfamoyl)-1-fluoro-N-(4-methylphenyl)methanesulfenamide

>  <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[dichloro(fluoro)methyl]sulfanyl-<I>N</I>-(dimethylsulfamoyl)-4-methylaniline

>  <PUBCHEM_IUPAC_NAME>
N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[bis(chloranyl)-fluoranyl-methyl]sulfanyl-N-(dimethylsulfamoyl)-4-methyl-aniline

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[[dichloro(fluoro)methyl]thio]-(dimethylsulfamoyl)-(p-tolyl)amine

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H13Cl2FN2O2S2/c1-8-4-6-9(7-5-8)15(18-10(11,12)13)19(16,17)14(2)3/h4-7H,1-3H3

>  <PUBCHEM_IUPAC_INCHIKEY>
HYVWIQDYBVKITD-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3>
3.9

>  <PUBCHEM_EXACT_MASS>
345.977954

>  <PUBCHEM_MOLECULAR_FORMULA>
C10H13Cl2FN2O2S2

>  <PUBCHEM_MOLECULAR_WEIGHT>
347.3

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC=C(C=C1)N(SC(F)(Cl)Cl)S(=O)(=O)N(C)C

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC=C(C=C1)N(SC(F)(Cl)Cl)S(=O)(=O)N(C)C

>  <PUBCHEM_CACTVS_TPSA>
74.3

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
345.977954

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
19

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

>  <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

>  <PUBCHEM_COMPONENT_COUNT>
1

>  <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

>  <PUBCHEM_BONDANNOTATIONS>
10  11  8
10  12  8
11  16  8
12  17  8
13  16  8
13  17  8

$$$$
