15671
  -OEChem-05132416282D

 35 36  0     1  0  0  0  0  0999 V2000
    3.4022    1.2879    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.9323   -0.7363    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4022   -0.7604    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.5304    0.7637    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.1285    0.2637    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.7625    1.6298    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.7625   -0.1023    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.4323   -1.6023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4323   -1.6023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9056   -1.6245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8989    0.1037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7984   -0.2363    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9323    1.2637    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5381   -1.2637    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7984    0.7637    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0663   -0.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0663    0.7637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6644    1.2637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1724   -0.7709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1724    1.2984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2663   -0.2571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2663    0.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3964    1.2637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2625    0.7637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7984    1.3837    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3353   -0.5463    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9323    1.8837    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0629    1.7387    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2659    1.7387    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1796   -1.3909    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1796    1.9184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7950    1.7387    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9979    1.7387    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9558    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5405   -1.8837    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  2  8  2  0  0  0  0
  2  9  2  0  0  0  0
  2 12  1  0  0  0  0
  2 16  1  0  0  0  0
  3 10  2  0  0  0  0
  3 11  2  0  0  0  0
  3 14  1  0  0  0  0
  3 21  1  0  0  0  0
  4 18  1  0  0  0  0
  4 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6 24  1  0  0  0  0
  7 24  1  0  0  0  0
 12 15  1  0  0  0  0
 12 26  1  0  0  0  0
 13 15  1  0  0  0  0
 13 17  1  0  0  0  0
 13 27  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 18  1  0  0  0  0
 15 25  1  0  0  0  0
 16 17  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  2  0  0  0  0
 18 28  1  0  0  0  0
 18 29  1  0  0  0  0
 19 21  1  0  0  0  0
 19 30  1  0  0  0  0
 20 22  1  0  0  0  0
 20 31  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  1  0  0  0  0
 23 32  1  0  0  0  0
 23 33  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
15671

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
662

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
11

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzOYBkAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAACxAAAAHQYQQAAACArFUDSxwYLAAAqAACRCQHDCABAhBxAAiJwIZoiIICLBkpGEIAhgkALoyCcQAAAAAAYAAEIAAYAADAAAhAADAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
6-chloro-1,1-dioxo-3-(2,2,2-trifluoroethylsulfanylmethyl)-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide

> <PUBCHEM_IUPAC_CAS_NAME>
6-chloro-1,1-dioxo-3-[(2,2,2-trifluoroethylthio)methyl]-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
6-chloro-1,1-dioxo-3-(2,2,2-trifluoroethylsulfanylmethyl)-3,4-dihydro-2<I>H</I>-1&lambda;<SUP>6</SUP>,2,4-benzothiadiazine-7-sulfonamide

> <PUBCHEM_IUPAC_NAME>
6-chloro-1,1-dioxo-3-(2,2,2-trifluoroethylsulfanylmethyl)-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6-chloranyl-1,1-bis(oxidanylidene)-3-[2,2,2-tris(fluoranyl)ethylsulfanylmethyl]-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
6-chloro-1,1-diketo-3-[(2,2,2-trifluoroethylthio)methyl]-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H11ClF3N3O4S3/c11-5-1-6-8(2-7(5)23(15,18)19)24(20,21)17-9(16-6)3-22-4-10(12,13)14/h1-2,9,16-17H,3-4H2,(H2,15,18,19)

> <PUBCHEM_IUPAC_INCHIKEY>
RINBGYCKMGDWPY-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
1.3

> <PUBCHEM_EXACT_MASS>
424.9552315

> <PUBCHEM_MOLECULAR_FORMULA>
C10H11ClF3N3O4S3

> <PUBCHEM_MOLECULAR_WEIGHT>
425.9

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=C2C(=CC(=C1Cl)S(=O)(=O)N)S(=O)(=O)NC(N2)CSCC(F)(F)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=C2C(=CC(=C1Cl)S(=O)(=O)N)S(=O)(=O)NC(N2)CSCC(F)(F)F

> <PUBCHEM_CACTVS_TPSA>
160

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
424.9552315

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <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>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
15  18  3
16  17  8
16  19  8
17  20  8
19  21  8
20  22  8
21  22  8

$$$$