6634
  -OEChem-05201304212D

 27 28  0     0  0  0  0  0  0999 V2000
    6.4641    3.6550    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.6550    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    0.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.6550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -3.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    1.6550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    2.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    3.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4631    1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970   -0.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030   -0.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970   -2.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030   -2.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3291    3.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    4.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4631   -3.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5369   -3.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  9  1  0  0  0  0
  5 15  1  0  0  0  0
  5 19  1  0  0  0  0
  6 12  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7  8  1  0  0  0  0
  7 15  2  0  0  0  0
  8 18  2  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 13  1  0  0  0  0
 10 20  1  0  0  0  0
 11 14  2  0  0  0  0
 11 21  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 22  1  0  0  0  0
 14 23  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 24  1  0  0  0  0
 17 18  1  0  0  0  0
 17 25  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
6634

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
365

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzsABEAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABwAAAHAYYQAAACAqBUiAx8ZBAAAKiACZiYHDSBBIgBwAcmDgwZpgIIKKBk5GAoABwmAAIyAcQAAAAAAQAAAAAAAAACAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-amino-N-(6-chloropyridazin-3-yl)benzenesulfonamide

> <PUBCHEM_IUPAC_CAS_NAME>
4-amino-N-(6-chloro-3-pyridazinyl)benzenesulfonamide

> <PUBCHEM_IUPAC_NAME>
4-amino-N-(6-chloropyridazin-3-yl)benzenesulfonamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-azanyl-N-(6-chloranylpyridazin-3-yl)benzenesulfonamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-amino-N-(6-chloropyridazin-3-yl)benzenesulfonamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H9ClN4O2S/c11-9-5-6-10(14-13-9)15-18(16,17)8-3-1-7(12)2-4-8/h1-6H,12H2,(H,14,15)

> <PUBCHEM_IUPAC_INCHIKEY>
XOXHILFPRYWFOD-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
1

> <PUBCHEM_EXACT_MASS>
284.013474

> <PUBCHEM_MOLECULAR_FORMULA>
C10H9ClN4O2S

> <PUBCHEM_MOLECULAR_WEIGHT>
284.72206

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=CC=C1N)S(=O)(=O)NC2=NN=C(C=C2)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=CC=C1N)S(=O)(=O)NC2=NN=C(C=C2)Cl

> <PUBCHEM_CACTVS_TPSA>
106

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
284.013474

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <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>
2

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  13  8
11  14  8
12  13  8
12  14  8
15  16  8
16  17  8
17  18  8
7  15  8
7  8  8
8  18  8
9  10  8
9  11  8

$$$$