
 CHEMBL370257

 38 40  0  0  0  0  0  0  0  0999 V2000
    0.8809    0.1741   -0.3969 C   0  0  0  0  0
    2.3694    0.2309   -0.3020 C   0  0  0  0  0
    3.1808    1.3473   -0.1347 C   0  0  0  0  0
    4.5391    0.8988   -0.1515 C   0  0  0  0  0
    4.5367   -0.4913   -0.3255 C   0  0  0  0  0
    3.2031   -0.8774   -0.3669 N   0  0  0  0  0
    2.6940   -2.5050   -0.0976 S   0  0  0  0  0
    1.2970   -2.5904   -0.4755 O   0  0  0  0  0
    3.6855   -3.3663   -0.7123 O   0  0  0  0  0
    2.8116   -2.6721    1.6689 C   0  0  0  0  0
    1.6966   -2.3906    2.4675 C   0  0  0  0  0
    1.7982   -2.5067    3.8545 C   0  0  0  0  0
    3.0005   -2.9128    4.4251 C   0  0  0  0  0
    4.1049   -3.2157    3.6345 C   0  0  0  0  0
    4.0123   -3.1028    2.2465 C   0  0  0  0  0
    3.0948   -3.0199    5.7565 F   0  0  0  0  0
    5.7465   -1.2131   -0.4099 C   0  0  0  0  0
    6.9543   -0.5200   -0.2936 C   0  0  0  0  0
    6.9587    0.8493   -0.0979 C   0  0  0  0  0
    5.7729    1.5732   -0.0249 C   0  0  0  0  0
    8.1276    1.4934    0.0185 F   0  0  0  0  0
    2.7394    2.7686    0.0463 C   0  0  0  0  0
    2.4648    3.0681    1.4976 C   0  0  0  0  0
    1.4450    2.7976    2.1135 O   0  0  0  0  0
    3.5083    3.6479    2.1255 O   0  0  0  0  0
    0.5680   -0.3408   -1.3104 H   0  0  0  0  0
    0.4458    1.1771   -0.4414 H   0  0  0  0  0
    0.4469   -0.3202    0.4752 H   0  0  0  0  0
    0.7504   -2.0857    2.0267 H   0  0  0  0  0
    0.9484   -2.2865    4.4940 H   0  0  0  0  0
    5.0281   -3.5401    4.1054 H   0  0  0  0  0
    4.8746   -3.3521    1.6329 H   0  0  0  0  0
    5.7729   -2.2856   -0.5803 H   0  0  0  0  0
    7.8991   -1.0520   -0.3596 H   0  0  0  0  0
    5.8161    2.6472    0.1274 H   0  0  0  0  0
    1.8315    2.9854   -0.5266 H   0  0  0  0  0
    3.4947    3.4685   -0.3294 H   0  0  0  0  0
    3.2132    3.7286    3.0572 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  6  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 22  1  0  0  0
  4  5  2  0  0  0
  4 20  1  0  0  0
  5 17  1  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  7 10  1  0  0  0
  7  9  2  0  0  0
  7  8  2  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 29  1  0  0  0
 12 13  2  0  0  0
 12 30  1  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 14 15  2  0  0  0
 14 31  1  0  0  0
 15 32  1  0  0  0
 17 18  2  0  0  0
 17 33  1  0  0  0
 18 19  1  0  0  0
 18 34  1  0  0  0
 19 20  2  0  0  0
 19 21  1  0  0  0
 20 35  1  0  0  0
 22 23  1  0  0  0
 22 36  1  0  0  0
 22 37  1  0  0  0
 23 25  1  0  0  0
 23 24  2  0  0  0
 25 38  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL370257

>  <PubChem CID>
11537884

>  <Formula>
C17H13F2NO4S

>  <Molecular Weight>
365.351000

>  <IUPAC Name>
2-[5-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylindol-3-yl]acetic acid

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=C(C2=C(N1S(=O)(=O)C3=CC=C(C=C3)F)C=CC(=C2)F)CC(=O)O

>  <Isomeric SMILES>
CC1=C(C2=C(N1S(=O)(=O)C3=CC=C(C=C3)F)C=CC(=C2)F)CC(=O)O

>  <InChI Std. ID>
InChI=1S/C17H13F2NO4S/c1-10-14(9-17(21)22)15-8-12(19)4-7-16(15)20(10)25(23,24)13-5-2-11(18)3-6-13/h2-8H,9H2,1H3,(H,21,22)

>  <InChI Key>
AXQRBYFLZSHNKM-UHFFFAOYSA-N

