31747373
  -OEChem-05082408012D

 36 37  0     0  0  0  0  0  0999 V2000
    4.9483    2.6307    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.8144    6.1307    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.8144    5.1307    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8144    5.1307    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.9483    2.6307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9483    2.6307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2733   -3.4571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2163   -1.3693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013   -6.1307    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.1126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9483    3.6307    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9483   -1.3693    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9945   -5.2172    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.9483    1.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8144    1.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0823    1.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8144    4.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9483   -0.3693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8144    0.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0823    0.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8144    5.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0823   -1.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0823   -2.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8913   -3.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823   -4.4081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5823   -4.4081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4114    3.9407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0264    3.5481    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4249    4.2384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3513    1.4407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5454    1.4407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3513   -0.1793    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5454   -0.1793    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4853   -1.6793    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4810   -3.2655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9467   -4.9097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  1  6  2  0  0  0  0
  1 11  1  0  0  0  0
  1 14  1  0  0  0  0
  2 21  1  0  0  0  0
  3 21  1  0  0  0  0
  4 21  1  0  0  0  0
  7 23  1  0  0  0  0
  7 25  1  0  0  0  0
  8 22  2  0  0  0  0
  9 13  1  0  0  0  0
 10 13  2  0  0  0  0
 11 17  1  0  0  0  0
 11 27  1  0  0  0  0
 12 18  1  0  0  0  0
 12 22  1  0  0  0  0
 12 34  1  0  0  0  0
 13 25  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 19  1  0  0  0  0
 15 30  1  0  0  0  0
 16 20  2  0  0  0  0
 16 31  1  0  0  0  0
 17 21  1  0  0  0  0
 17 28  1  0  0  0  0
 17 29  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 32  1  0  0  0  0
 20 33  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 26  1  0  0  0  0
 24 35  1  0  0  0  0
 25 26  2  0  0  0  0
 26 36  1  0  0  0  0
M  CHG  2   9  -1  13   1
M  END
> <PUBCHEM_COMPOUND_CID>
31747373

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
623

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
10

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzOYBAAAAAAAAAAAAAAAAAASAAAAAwAAAAAAAAAAABwAAAHwQUQAAACAzB0BQwxYLQREKJAKVSU3LCCBAtIgAoiJnGbMoOJjLEtb+POSjk1BHY6Ye8FwIAAAQAAAAAAAAACAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-nitro-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]furan-2-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
5-nitro-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]-2-furancarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-nitro-<I>N</I>-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]furan-2-carboxamide

> <PUBCHEM_IUPAC_NAME>
5-nitro-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]furan-2-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-nitro-N-[4-[2,2,2-tris(fluoranyl)ethylsulfamoyl]phenyl]furan-2-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-nitro-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]-2-furamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H10F3N3O6S/c14-13(15,16)7-17-26(23,24)9-3-1-8(2-4-9)18-12(20)10-5-6-11(25-10)19(21)22/h1-6,17H,7H2,(H,18,20)

> <PUBCHEM_IUPAC_INCHIKEY>
QQPNSKBODIQZOS-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.4

> <PUBCHEM_EXACT_MASS>
393.02424071

> <PUBCHEM_MOLECULAR_FORMULA>
C13H10F3N3O6S

> <PUBCHEM_MOLECULAR_WEIGHT>
393.30

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=CC=C1NC(=O)C2=CC=C(O2)[N+](=O)[O-])S(=O)(=O)NCC(F)(F)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=CC=C1NC(=O)C2=CC=C(O2)[N+](=O)[O-])S(=O)(=O)NCC(F)(F)F

> <PUBCHEM_CACTVS_TPSA>
143

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
393.02424071

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <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>
14  15  8
14  16  8
15  19  8
16  20  8
18  19  8
18  20  8
23  24  8
24  26  8
25  26  8
7  23  8
7  25  8

$$$$