
 2-[Benzenesulfonyl-(4-fluoro-phenyl)-amino]-N-furan-2-ylmethyl-acetamide

 44 46  0  0  0  0  0  0  0  0999 V2000
    1.9095    0.6816    3.5231 C   0  0  0  0  0
    1.0717    0.0241    2.6228 C   0  0  0  0  0
    1.3958   -0.0049    1.2675 C   0  0  0  0  0
    2.5717    0.6122    0.8203 C   0  0  0  0  0
    3.3923    1.3045    1.7134 C   0  0  0  0  0
    3.0631    1.3255    3.0698 C   0  0  0  0  0
    2.9650    0.5860   -0.9196 S   0  0  0  0  0
    1.7356    0.2263   -1.6072 O   0  0  0  0  0
    3.6526    1.8203   -1.2327 O   0  0  0  0  0
    4.0219   -0.7274   -1.0767 N   0  0  0  0  0
    3.4740   -2.0875   -0.9045 C   0  0  0  0  0
    3.0144   -2.6529   -2.2387 C   0  0  0  0  0
    3.7706   -3.2833   -2.9725 O   0  0  0  0  0
    1.6873   -2.4134   -2.5271 N   0  0  0  0  0
    1.0570   -2.9814   -3.6965 C   0  0  0  0  0
    0.4473   -4.2833   -3.3179 C   0  0  0  0  0
   -0.7923   -4.6515   -2.8330 C   0  0  0  0  0
   -0.7533   -6.0569   -2.6568 C   0  0  0  0  0
    0.5031   -6.4568   -3.0451 C   0  0  0  0  0
    1.2359   -5.3897   -3.4504 O   0  0  0  0  0
    5.4031   -0.5320   -0.7703 C   0  0  0  0  0
    6.2565   -0.1408   -1.8063 C   0  0  0  0  0
    7.6170    0.0439   -1.5589 C   0  0  0  0  0
    8.1102   -0.1535   -0.2748 C   0  0  0  0  0
    7.2687   -0.5348    0.7657 C   0  0  0  0  0
    5.9081   -0.7288    0.5185 C   0  0  0  0  0
    9.4160    0.0220   -0.0348 F   0  0  0  0  0
    1.6534    0.7060    4.5801 H   0  0  0  0  0
    0.1616   -0.4560    2.9762 H   0  0  0  0  0
    0.7236   -0.5039    0.5730 H   0  0  0  0  0
    4.2808    1.8259    1.3638 H   0  0  0  0  0
    3.6998    1.8535    3.7758 H   0  0  0  0  0
    2.6440   -2.1033   -0.1918 H   0  0  0  0  0
    4.2207   -2.7798   -0.4968 H   0  0  0  0  0
    1.2717   -1.5720   -2.1326 H   0  0  0  0  0
    1.7844   -3.1033   -4.5050 H   0  0  0  0  0
    0.2829   -2.2822   -4.0288 H   0  0  0  0  0
   -1.6201   -3.9871   -2.6292 H   0  0  0  0  0
   -1.5407   -6.7011   -2.2919 H   0  0  0  0  0
    1.0074   -7.4120   -3.0920 H   0  0  0  0  0
    5.8663    0.0064   -2.8107 H   0  0  0  0  0
    8.2906    0.3350   -2.3586 H   0  0  0  0  0
    7.6809   -0.6840    1.7587 H   0  0  0  0  0
    5.2602   -1.0396    1.3325 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  3  4  2  0  0  0
  3 30  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 31  1  0  0  0
  6 32  1  0  0  0
  7 10  1  0  0  0
  7  9  2  0  0  0
  7  8  2  0  0  0
 10 21  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 11 33  1  0  0  0
 11 34  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 15  1  0  0  0
 14 35  1  0  0  0
 15 16  1  0  0  0
 15 36  1  0  0  0
 15 37  1  0  0  0
 16 17  2  0  0  0
 16 20  1  0  0  0
 17 18  1  0  0  0
 17 38  1  0  0  0
 18 19  2  0  0  0
 18 39  1  0  0  0
 19 20  1  0  0  0
 19 40  1  0  0  0
 21 22  2  0  0  0
 21 26  1  0  0  0
 22 23  1  0  0  0
 22 41  1  0  0  0
 23 24  2  0  0  0
 23 42  1  0  0  0
 24 25  1  0  0  0
 24 27  1  0  0  0
 25 26  2  0  0  0
 25 43  1  0  0  0
 26 44  1  0  0  0
M  END

>  <Chemical Name>
2-[Benzenesulfonyl-(4-fluoro-phenyl)-amino]-N-furan-2-ylmethyl-acetamide

>  <PubChem CID>
649013

>  <Formula>
C19H17FN2O4S

>  <Molecular Weight>
388.413000

>  <IUPAC Name>
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(furan-2-ylmethyl)acetamide

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCC2=CC=CO2)C3=CC=C(C=C3)F

>  <Isomeric SMILES>
C1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCC2=CC=CO2)C3=CC=C(C=C3)F

>  <InChI Std. ID>
InChI=1S/C19H17FN2O4S/c20-15-8-10-16(11-9-15)22(27(24,25)18-6-2-1-3-7-18)14-19(23)21-13-17-5-4-12-26-17/h1-12H,13-14H2,(H,21,23)

>  <InChI Key>
ADODOIQCZAIPFZ-UHFFFAOYSA-N

