11640067
  -OEChem-10101305022D

 38 40  0     1  0  0  0  0  0999 V2000
    3.4030   -2.8218    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.1934    0.5521    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.9007    1.6283    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.5221    3.5293    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.8148    2.4532    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.4791    3.9418    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.9043   -0.6046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030   -1.9558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030   -3.6878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2579   -0.0665    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -3.3218    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9473   -1.0170    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.5309   -1.8218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9473   -2.6265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.3218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.3218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.8218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.8218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.3218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.3218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2364    0.1397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5471    1.0902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5256    1.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8792    1.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1899    2.7850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8363    2.2470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1684    2.9913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5098   -0.5777    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9917   -2.2365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9917   -1.4070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6962   -3.1934    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4846   -2.9357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8439    0.3949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.4418    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.2018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0118    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.0118    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -3.9418    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  1  9  2  0  0  0  0
  1 11  1  0  0  0  0
  1 19  1  0  0  0  0
  2 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7 21  2  0  0  0  0
 10 12  1  0  0  0  0
 10 21  1  0  0  0  0
 10 33  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 12 28  1  0  0  0  0
 13 14  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 14 16  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 15 16  2  0  0  0  0
 15 18  1  0  0  0  0
 16 17  1  0  0  0  0
 17 19  2  0  0  0  0
 17 34  1  0  0  0  0
 18 20  2  0  0  0  0
 18 35  1  0  0  0  0
 19 20  1  0  0  0  0
 20 36  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  2  0  0  0  0
 25 27  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
11640067

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
660

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
9

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7McBAAAAAAAAAAAAAAAAAAYAAAAAwYAAAAAAAAGABQAAAHwQQQAAADCjB2AwwAYLAAAKIAiFSEHDCABAkAAAIiJkIBMgIIDKAlRGEIQhglgCIiQcYiICOkAAAgAAQAAAgAAEAACAAACAACQAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2,3,4,5,6-pentafluoro-N-(5-sulfamoylindan-1-yl)benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
2,3,4,5,6-pentafluoro-N-(5-sulfamoyl-2,3-dihydro-1H-inden-1-yl)benzamide

> <PUBCHEM_IUPAC_NAME>
2,3,4,5,6-pentafluoro-N-(5-sulfamoyl-2,3-dihydro-1H-inden-1-yl)benzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2,3,4,5,6-pentakis(fluoranyl)-N-(5-sulfamoyl-2,3-dihydro-1H-inden-1-yl)benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2,3,4,5,6-pentafluoro-N-(5-sulfamoylindan-1-yl)benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H11F5N2O3S/c17-11-10(12(18)14(20)15(21)13(11)19)16(24)23-9-4-1-6-5-7(27(22,25)26)2-3-8(6)9/h2-3,5,9H,1,4H2,(H,23,24)(H2,22,25,26)

> <PUBCHEM_IUPAC_INCHIKEY>
GSDOCCQCQXIOCL-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.2

> <PUBCHEM_EXACT_MASS>
406.041054

> <PUBCHEM_MOLECULAR_FORMULA>
C16H11F5N2O3S

> <PUBCHEM_MOLECULAR_WEIGHT>
406.327156

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC2=C(C1NC(=O)C3=C(C(=C(C(=C3F)F)F)F)F)C=CC(=C2)S(=O)(=O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CC2=C(C1NC(=O)C3=C(C(=C(C(=C3F)F)F)F)F)C=CC(=C2)S(=O)(=O)N

> <PUBCHEM_CACTVS_TPSA>
97.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
406.041054

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
27

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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>
2

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
12  10  3
15  16  8
15  18  8
16  17  8
17  19  8
18  20  8
19  20  8
22  23  8
22  24  8
23  26  8
24  25  8
25  27  8
26  27  8

$$$$