2166192
  -OEChem-04252401562D

 36 37  0     0  0  0  0  0  0999 V2000
    3.0000   -1.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -5.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6540    2.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2554    1.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0781   -0.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4766    0.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9441    1.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3426    2.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4631    0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350    3.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3291    3.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970   -2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030   -2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350    4.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3291    4.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970   -3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030   -3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    5.6200    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  5  1  0  0  0  0
  1 10  1  0  0  0  0
  2 20  1  0  0  0  0
  5  7  1  0  0  0  0
  5 27  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8  9  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 28  1  0  0  0  0
 12 16  2  0  0  0  0
 12 29  1  0  0  0  0
 13 17  1  0  0  0  0
 13 30  1  0  0  0  0
 14 18  2  0  0  0  0
 14 31  1  0  0  0  0
 15 19  2  0  0  0  0
 15 32  1  0  0  0  0
 16 19  1  0  0  0  0
 16 33  1  0  0  0  0
 17 20  2  0  0  0  0
 17 34  1  0  0  0  0
 18 20  1  0  0  0  0
 18 35  1  0  0  0  0
 19 36  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
2166192

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
366

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceByMQBAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHQQQQAAADADBWAwwAYBAAAKAAiBCAHBCABAgAAAIiJgAAIgIICKAkRCAIAAgkAAIiAcQgIAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-fluoro-N-(3-phenylpropyl)benzenesulfonamide

> <PUBCHEM_IUPAC_CAS_NAME>
4-fluoro-N-(3-phenylpropyl)benzenesulfonamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-fluoro-<I>N</I>-(3-phenylpropyl)benzenesulfonamide

> <PUBCHEM_IUPAC_NAME>
4-fluoro-N-(3-phenylpropyl)benzenesulfonamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-fluoranyl-N-(3-phenylpropyl)benzenesulfonamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-fluoro-N-(3-phenylpropyl)benzenesulfonamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H16FNO2S/c16-14-8-10-15(11-9-14)20(18,19)17-12-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-11,17H,4,7,12H2

> <PUBCHEM_IUPAC_INCHIKEY>
HUJYJUVNQWLXIK-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.3

> <PUBCHEM_EXACT_MASS>
293.08857809

> <PUBCHEM_MOLECULAR_FORMULA>
C15H16FNO2S

> <PUBCHEM_MOLECULAR_WEIGHT>
293.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)CCCNS(=O)(=O)C2=CC=C(C=C2)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)CCCNS(=O)(=O)C2=CC=C(C=C2)F

> <PUBCHEM_CACTVS_TPSA>
54.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
293.08857809

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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  13  8
10  14  8
11  15  8
12  16  8
13  17  8
14  18  8
15  19  8
16  19  8
17  20  8
18  20  8
9  11  8
9  12  8

$$$$