
 N-(3-fluoro-2-methylphenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide

 42 44  0  0  0  0  0  0  0  0999 V2000
    2.1790    0.6318    3.3136 C   0  0  0  0  0
    2.3603    2.1000    3.5674 C   0  0  0  0  0
    2.5294    3.0382    2.5409 C   0  0  0  0  0
    2.7430    4.3895    2.8461 C   0  0  0  0  0
    2.7361    4.8269    4.1712 C   0  0  0  0  0
    2.5318    3.9089    5.1956 C   0  0  0  0  0
    2.3526    2.5626    4.8886 C   0  0  0  0  0
    2.1762    1.6965    5.8972 F   0  0  0  0  0
    2.4392    2.6492    1.1705 N   0  0  0  0  0
    0.9149    2.5966    0.4373 S   0  0  0  0  0
    1.1377    2.3228   -0.9643 O   0  0  0  0  0
    0.0196    1.7863    1.2376 O   0  0  0  0  0
    0.3664    4.2851    0.5420 C   0  0  0  0  0
    1.0646    5.2637   -0.1632 C   0  0  0  0  0
    0.7086    6.6104   -0.0065 C   0  0  0  0  0
   -0.3653    6.9894    0.7972 C   0  0  0  0  0
   -1.0868    5.9797    1.4590 C   0  0  0  0  0
   -0.7195    4.6331    1.3423 C   0  0  0  0  0
   -0.6865    8.3666    0.9288 N   0  0  0  0  0
    0.0580    9.3710    0.3107 C   0  0  0  0  0
   -0.2373   10.5620    0.4300 O   0  0  0  0  0
    1.1536    8.9628   -0.4398 N   0  0  0  0  0
    1.5190    7.6450   -0.6625 C   0  0  0  0  0
    2.4836    7.3034   -1.3431 O   0  0  0  0  0
    1.9764    9.9754   -1.0775 C   0  0  0  0  0
   -1.8313    8.7633    1.7403 C   0  0  0  0  0
    2.5535    0.3362    2.3287 H   0  0  0  0  0
    1.1219    0.3608    3.3866 H   0  0  0  0  0
    2.7450    0.0464    4.0471 H   0  0  0  0  0
    2.9091    5.1197    2.0590 H   0  0  0  0  0
    2.8860    5.8787    4.4019 H   0  0  0  0  0
    2.5196    4.2267    6.2336 H   0  0  0  0  0
    3.1665    2.9826    0.5384 H   0  0  0  0  0
    1.9005    4.9901   -0.8049 H   0  0  0  0  0
   -1.9365    6.2105    2.0966 H   0  0  0  0  0
   -1.2772    3.8725    1.8867 H   0  0  0  0  0
    1.7446   10.9861   -0.7328 H   0  0  0  0  0
    1.8191    9.9199   -2.1594 H   0  0  0  0  0
    3.0324    9.7694   -0.8719 H   0  0  0  0  0
   -1.9824    9.8463    1.7451 H   0  0  0  0  0
   -1.6688    8.4461    2.7754 H   0  0  0  0  0
   -2.7391    8.3030    1.3375 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3  9  1  0  0  0
  4  5  2  0  0  0
  4 30  1  0  0  0
  5  6  1  0  0  0
  5 31  1  0  0  0
  6  7  2  0  0  0
  6 32  1  0  0  0
  7  8  1  0  0  0
  9 10  1  0  0  0
  9 33  1  0  0  0
 10 13  1  0  0  0
 10 12  2  0  0  0
 10 11  2  0  0  0
 13 18  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 14 34  1  0  0  0
 15 16  2  0  0  0
 15 23  1  0  0  0
 16 19  1  0  0  0
 16 17  1  0  0  0
 17 18  2  0  0  0
 17 35  1  0  0  0
 18 36  1  0  0  0
 19 20  1  0  0  0
 19 26  1  0  0  0
 20 22  1  0  0  0
 20 21  2  0  0  0
 22 23  1  0  0  0
 22 25  1  0  0  0
 23 24  2  0  0  0
 25 37  1  0  0  0
 25 38  1  0  0  0
 25 39  1  0  0  0
 26 40  1  0  0  0
 26 41  1  0  0  0
 26 42  1  0  0  0
M  END

>  <Chemical Name>
N-(3-fluoro-2-methylphenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide

>  <PubChem CID>
1505908

>  <Formula>
C17H16FN3O4S

>  <Molecular Weight>
377.390000

>  <IUPAC Name>
N-(3-fluoro-2-methylphenyl)-1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonamide

>  <XlogP>
1.800

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=C(C=CC=C1F)NS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)N(C3=O)C)C

>  <Isomeric SMILES>
CC1=C(C=CC=C1F)NS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)N(C3=O)C)C

>  <InChI Std. ID>
InChI=1S/C17H16FN3O4S/c1-10-13(18)5-4-6-14(10)19-26(24,25)11-7-8-15-12(9-11)16(22)21(3)17(23)20(15)2/h4-9,19H,1-3H3

>  <InChI Key>
KCLOJGUWTMHGSD-UHFFFAOYSA-N

