
 478067-38-8

 40 41  0  0  0  0  0  0  0  0999 V2000
    4.3681   -0.4787   -2.3731 C   0  0  0  0  0
    5.5723    0.1173   -1.2087 S   0  0  0  0  0
    5.5540   -0.7409   -0.0410 O   0  0  0  0  0
    6.8055    0.3393   -1.9355 O   0  0  0  0  0
    4.9087    1.6206   -0.7508 N   0  0  0  0  0
    3.8353    1.5973    0.2689 C   0  0  0  0  0
    2.5175    2.0703   -0.3256 C   0  0  0  0  0
    2.0018    1.4893   -1.2753 O   0  0  0  0  0
    1.9847    3.1776    0.3230 N   0  0  0  0  0
    0.7182    3.7597    0.0925 C   0  0  0  0  0
    0.4860    5.0330    0.6351 C   0  0  0  0  0
   -0.7161    5.7029    0.4408 C   0  0  0  0  0
   -1.7142    5.0768   -0.2892 C   0  0  0  0  0
   -1.5282    3.8003   -0.8100 C   0  0  0  0  0
   -0.3096    3.1398   -0.6205 C   0  0  0  0  0
   -2.8770    5.7081   -0.4924 F   0  0  0  0  0
    1.4571    5.6309    1.3459 F   0  0  0  0  0
    5.8316    2.7264   -0.7696 C   0  0  0  0  0
    6.0654    3.4583   -1.9449 C   0  0  0  0  0
    7.0406    4.4577   -1.9698 C   0  0  0  0  0
    7.7895    4.7356   -0.8228 C   0  0  0  0  0
    7.5795    4.0086    0.3568 C   0  0  0  0  0
    6.6079    2.9914    0.3673 C   0  0  0  0  0
    8.3735    4.2937    1.6103 C   0  0  0  0  0
    7.5678    4.6514    2.6481 F   0  0  0  0  0
    9.0809    3.2151    2.0384 F   0  0  0  0  0
    9.2717    5.3064    1.4679 F   0  0  0  0  0
    5.1509    3.1814   -3.3838 Cl  0  0  0  0  0
    4.3137    0.2100   -3.2192 H   0  0  0  0  0
    3.4035   -0.5837   -1.8807 H   0  0  0  0  0
    4.7036   -1.4584   -2.7227 H   0  0  0  0  0
    4.1053    2.1955    1.1444 H   0  0  0  0  0
    3.6451    0.5870    0.6470 H   0  0  0  0  0
    2.5903    3.7108    0.9383 H   0  0  0  0  0
   -0.8690    6.6949    0.8465 H   0  0  0  0  0
   -2.3314    3.3236   -1.3658 H   0  0  0  0  0
   -0.1999    2.1381   -1.0295 H   0  0  0  0  0
    7.2277    5.0197   -2.8807 H   0  0  0  0  0
    8.5493    5.5172   -0.8611 H   0  0  0  0  0
    6.4809    2.3913    1.2668 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  5  1  0  0  0
  2  4  2  0  0  0
  2  3  2  0  0  0
  5 18  1  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  6 32  1  0  0  0
  6 33  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 10  1  0  0  0
  9 34  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 17  1  0  0  0
 12 13  2  0  0  0
 12 35  1  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 14 15  2  0  0  0
 14 36  1  0  0  0
 15 37  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 28  1  0  0  0
 20 21  2  0  0  0
 20 38  1  0  0  0
 21 22  1  0  0  0
 21 39  1  0  0  0
 22 23  2  0  0  0
 22 24  1  0  0  0
 23 40  1  0  0  0
 24 27  1  0  0  0
 24 26  1  0  0  0
 24 25  1  0  0  0
M  END

>  <Chemical Name>
478067-38-8

>  <PubChem CID>
1318633

>  <Formula>
C16H12ClF5N2O3S

>  <Molecular Weight>
442.785000

>  <IUPAC Name>
2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(2,4-difluorophenyl)acetamide

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CS(=O)(=O)N(CC(=O)NC1=C(C=C(C=C1)F)F)C2=C(C=CC(=C2)C(F)(F)F)Cl

>  <Isomeric SMILES>
CS(=O)(=O)N(CC(=O)NC1=C(C=C(C=C1)F)F)C2=C(C=CC(=C2)C(F)(F)F)Cl

>  <InChI Std. ID>
InChI=1S/C16H12ClF5N2O3S/c1-28(26,27)24(14-6-9(16(20,21)22)2-4-11(14)17)8-15(25)23-13-5-3-10(18)7-12(13)19/h2-7H,8H2,1H3,(H,23,25)

>  <InChI Key>
ANELNYLPZRTDSG-UHFFFAOYSA-N

