
 CHEMBL1900596

 42 44  0  0  0  0  0  0  0  0999 V2000
    1.1675    1.8596    1.1037 C   0  0  0  0  0
    2.4694    1.6885    0.4895 N   0  0  0  0  0
    3.3800    2.7017    0.3206 C   0  0  0  0  0
    4.4757    2.1757   -0.3289 C   0  0  0  0  0
    4.2138    0.8026   -0.5612 C   0  0  0  0  0
    2.9564    0.5072   -0.0479 C   0  0  0  0  0
    2.2578   -0.7706   -0.0093 C   0  0  0  0  0
    1.4294   -1.0305    0.8555 O   0  0  0  0  0
    2.5778   -1.6092   -1.0597 N   0  0  0  0  0
    2.1090   -2.9265   -1.2576 C   0  0  0  0  0
    2.2268   -3.4738   -2.5437 C   0  0  0  0  0
    1.7717   -4.7546   -2.8363 C   0  0  0  0  0
    1.2139   -5.5119   -1.8175 C   0  0  0  0  0
    1.1114   -5.0092   -0.5244 C   0  0  0  0  0
    1.5566   -3.7133   -0.2432 C   0  0  0  0  0
    0.7702   -6.7478   -2.0803 F   0  0  0  0  0
    2.7656   -2.7367   -3.5277 F   0  0  0  0  0
    5.9370    2.9990   -0.7564 S   0  0  0  0  0
    6.4604    2.2294   -1.8652 O   0  0  0  0  0
    5.5649    4.3895   -0.8981 O   0  0  0  0  0
    7.0020    2.8463    0.5463 N   0  0  0  0  0
    8.4362    3.0320    0.2263 C   0  0  0  0  0
    9.0557    3.4404    1.5531 C   0  0  0  0  0
    7.9822    4.3338    2.1413 C   0  0  0  0  0
    6.6902    3.6058    1.7850 C   0  0  0  0  0
    1.0301    2.9091    1.3776 H   0  0  0  0  0
    1.1204    1.2408    2.0025 H   0  0  0  0  0
    0.4024    1.5682    0.3794 H   0  0  0  0  0
    3.1817    3.7087    0.6665 H   0  0  0  0  0
    4.8940    0.1025   -1.0319 H   0  0  0  0  0
    3.0703   -1.1970   -1.8456 H   0  0  0  0  0
    1.8467   -5.1520   -3.8410 H   0  0  0  0  0
    0.6854   -5.6267    0.2611 H   0  0  0  0  0
    1.4790   -3.3530    0.7787 H   0  0  0  0  0
    8.5704    3.8268   -0.5158 H   0  0  0  0  0
    8.8731    2.1025   -0.1490 H   0  0  0  0  0
    9.2083    2.5618    2.1916 H   0  0  0  0  0
   10.0153    3.9491    1.4289 H   0  0  0  0  0
    8.0955    4.4844    3.2184 H   0  0  0  0  0
    8.0065    5.3167    1.6547 H   0  0  0  0  0
    6.4197    2.8889    2.5676 H   0  0  0  0  0
    5.8663    4.3151    1.6707 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  3  1  0  0  0
  2  6  1  0  0  0
  3  4  2  0  0  0
  3 29  1  0  0  0
  4  5  1  0  0  0
  4 18  1  0  0  0
  5  6  2  0  0  0
  5 30  1  0  0  0
  6  7  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 10  1  0  0  0
  9 31  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 32  1  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 14 15  2  0  0  0
 14 33  1  0  0  0
 15 34  1  0  0  0
 18 21  1  0  0  0
 18 20  2  0  0  0
 18 19  2  0  0  0
 21 25  1  0  0  0
 21 22  1  0  0  0
 22 23  1  0  0  0
 22 35  1  0  0  0
 22 36  1  0  0  0
 23 24  1  0  0  0
 23 37  1  0  0  0
 23 38  1  0  0  0
 24 25  1  0  0  0
 24 39  1  0  0  0
 24 40  1  0  0  0
 25 41  1  0  0  0
 25 42  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1900596

>  <PubChem CID>
16017795

>  <Formula>
C16H17F2N3O3S

>  <Molecular Weight>
369.387000

>  <IUPAC Name>
N-(2,4-difluorophenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide

>  <XlogP>
1.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CN1C=C(C=C1C(=O)NC2=C(C=C(C=C2)F)F)S(=O)(=O)N3CCCC3

>  <Isomeric SMILES>
CN1C=C(C=C1C(=O)NC2=C(C=C(C=C2)F)F)S(=O)(=O)N3CCCC3

>  <InChI Std. ID>
InChI=1S/C16H17F2N3O3S/c1-20-10-12(25(23,24)21-6-2-3-7-21)9-15(20)16(22)19-14-5-4-11(17)8-13(14)18/h4-5,8-10H,2-3,6-7H2,1H3,(H,19,22)

>  <InChI Key>
ABDAUVCEFRMMLV-UHFFFAOYSA-N

