15671
  -OEChem-05241309082D

 35 36  0     1  0  0  0  0  0999 V2000
    9.1282   -0.1521    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -2.1763    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.1282   -2.2004    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    0.8237    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    3.3237    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.3237    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    2.3237    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -3.0423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0981   -3.0423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6249   -3.0645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6315   -1.3363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -1.6763    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -0.1763    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9923   -2.7037    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -0.6763    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.4641   -1.6763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641   -0.6763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -0.1763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3580   -2.2109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3580   -0.1416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2641   -1.6971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2641   -0.6554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.3237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.3237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -0.0563    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951   -1.9863    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    0.4437    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2554   -0.0686    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6540   -0.7589    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3509   -2.8309    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3509    0.4784    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3894    1.4314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7880    0.7411    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5304   -2.3958    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9899   -3.3237    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-1$l^{6},2,4-benzothiadiazine-7-sulfonamide

> <PUBCHEM_IUPAC_CAS_NAME>
6-chloro-1,1-dioxo-3-[(2,2,2-trifluoroethylthio)methyl]-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide

> <PUBCHEM_IUPAC_NAME>
6-chloro-1,1-dioxo-3-(2,2,2-trifluoroethylsulfanylmethyl)-3,4-dihydro-2H-1$l^{6},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-1$l^{6},2,4-benzothiadiazine-7-sulfonamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
6-chloro-1,1-diketo-3-[(2,2,2-trifluoroethylthio)methyl]-3,4-dihydro-2H-1$l^{6},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>
424.955231

> <PUBCHEM_MOLECULAR_FORMULA>
C10H11ClF3N3O4S3

> <PUBCHEM_MOLECULAR_WEIGHT>
425.85525

> <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>
424.955231

> <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

$$$$