43700516
  -OEChem-06192423212D

 24 24  0     0  0  0  0  0  0999 V2000
    6.3301   -2.6550    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1550    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.3450    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    1.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3301    1.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.6550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    0.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -1.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    2.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -2.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -2.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2 16  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  2  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  6 15  2  0  0  0  0
  7 10  1  0  0  0  0
  7 15  1  0  0  0  0
  7 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  2  0  0  0  0
 11 17  1  0  0  0  0
 12 14  2  0  0  0  0
 12 18  1  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 16 23  1  0  0  0  0
 16 24  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
43700516

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
355

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMABGAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgYQQAAACAuB0GAwwYLAAAKIACVSUHDCABAhBwAIiBgAZohIICLBk5HEIAxglADIyAcQAAAAAAIAACAAABAABAAAQAAAIAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-chloro-N-(2-chloro-5-sulfamoyl-phenyl)acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-chloro-N-(2-chloro-5-sulfamoylphenyl)acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-chloro-<I>N</I>-(2-chloro-5-sulfamoylphenyl)acetamide

> <PUBCHEM_IUPAC_NAME>
2-chloro-N-(2-chloro-5-sulfamoylphenyl)acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-chloranyl-N-(2-chloranyl-5-sulfamoyl-phenyl)ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-chloro-N-(2-chloro-5-sulfamoyl-phenyl)acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C8H8Cl2N2O3S/c9-4-8(13)12-7-3-5(16(11,14)15)1-2-6(7)10/h1-3H,4H2,(H,12,13)(H2,11,14,15)

> <PUBCHEM_IUPAC_INCHIKEY>
FODGSEJVGHBAOR-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
0.7

> <PUBCHEM_EXACT_MASS>
281.9632687

> <PUBCHEM_MOLECULAR_FORMULA>
C8H8Cl2N2O3S

> <PUBCHEM_MOLECULAR_WEIGHT>
283.13

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=C(C=C1S(=O)(=O)N)NC(=O)CCl)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=C(C=C1S(=O)(=O)N)NC(=O)CCl)Cl

> <PUBCHEM_CACTVS_TPSA>
97.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
281.9632687

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <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  13  8
12  14  8
13  14  8
9  11  8
9  12  8

$$$$
