60258404
  -OEChem-04262413322D

 43 45  0     0  0  0  0  0  0999 V2000
    6.3301    1.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3301    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592    4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860   -1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460   -1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    2.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    5.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  6  1  0  0  0  0
  1  9  1  0  0  0  0
  2 19  1  0  0  0  0
  5 16  2  0  0  0  0
  6 14  1  0  0  0  0
  6 29  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  7 33  1  0  0  0  0
  8 21  2  0  0  0  0
  8 27  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 11  2  0  0  0  0
 10 13  1  0  0  0  0
 10 16  1  0  0  0  0
 11 28  1  0  0  0  0
 12 15  1  0  0  0  0
 12 30  1  0  0  0  0
 13 15  2  0  0  0  0
 13 31  1  0  0  0  0
 14 19  1  0  0  0  0
 14 20  2  0  0  0  0
 15 32  1  0  0  0  0
 17 18  2  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 18 25  1  0  0  0  0
 19 23  2  0  0  0  0
 20 24  1  0  0  0  0
 20 34  1  0  0  0  0
 21 35  1  0  0  0  0
 22 27  2  0  0  0  0
 22 36  1  0  0  0  0
 23 26  1  0  0  0  0
 23 40  1  0  0  0  0
 24 26  2  0  0  0  0
 24 41  1  0  0  0  0
 25 37  1  0  0  0  0
 25 38  1  0  0  0  0
 25 39  1  0  0  0  0
 26 42  1  0  0  0  0
 27 43  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60258404

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
610

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MQBAAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAAAB0AAAHwQQQAAADAjB2gw+wZLIEAKoAjV3VHDCgDA1EiAI2Dk4dNgIYHLAlZGUIQhglADIyYcYiACOAAAAgAAAAAAAAAEAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-[(2-fluorophenyl)sulfamoyl]-N-(4-methyl-3-pyridyl)benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
3-[(2-fluorophenyl)sulfamoyl]-N-(4-methyl-3-pyridinyl)benzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-[(2-fluorophenyl)sulfamoyl]-<I>N</I>-(4-methylpyridin-3-yl)benzamide

> <PUBCHEM_IUPAC_NAME>
3-[(2-fluorophenyl)sulfamoyl]-N-(4-methylpyridin-3-yl)benzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-[(2-fluorophenyl)sulfamoyl]-N-(4-methylpyridin-3-yl)benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-[(2-fluorophenyl)sulfamoyl]-N-(4-methyl-3-pyridyl)benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H16FN3O3S/c1-13-9-10-21-12-18(13)22-19(24)14-5-4-6-15(11-14)27(25,26)23-17-8-3-2-7-16(17)20/h2-12,23H,1H3,(H,22,24)

> <PUBCHEM_IUPAC_INCHIKEY>
ZNTFNIFUGSNPTJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.7

> <PUBCHEM_EXACT_MASS>
385.08964072

> <PUBCHEM_MOLECULAR_FORMULA>
C19H16FN3O3S

> <PUBCHEM_MOLECULAR_WEIGHT>
385.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(C=NC=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=CC=C3F

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(C=NC=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=CC=C3F

> <PUBCHEM_CACTVS_TPSA>
96.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
385.08964072

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
27

> <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  15  8
13  15  8
14  19  8
14  20  8
17  18  8
17  21  8
18  22  8
19  23  8
20  24  8
22  27  8
23  26  8
24  26  8
8  21  8
8  27  8
9  11  8
9  12  8

$$$$