
 N-(3,4-dichlorophenyl)thiophene-3-carboxamide

 23 24  0  0  0  0  0  0  0  0999 V2000
   -0.5737    0.9731    1.7958 C   0  0  0  0  0
    0.4366    1.5786    2.5533 C   0  0  0  0  0
    1.5582    0.8482    2.9481 C   0  0  0  0  0
    1.6657   -0.4955    2.5832 C   0  0  0  0  0
    0.6524   -1.0986    1.8270 C   0  0  0  0  0
   -0.4731   -0.3683    1.4235 C   0  0  0  0  0
   -1.4464   -1.0540    0.6685 N   0  0  0  0  0
   -2.5829   -0.5296    0.0759 C   0  0  0  0  0
   -2.8964    0.6547    0.0616 O   0  0  0  0  0
   -3.4098   -1.5363   -0.6070 C   0  0  0  0  0
   -4.3148   -1.1812   -1.5947 C   0  0  0  0  0
   -5.1502   -2.5159   -2.2583 S   0  0  0  0  0
   -4.3502   -3.6022   -1.2124 C   0  0  0  0  0
   -3.4578   -2.9581   -0.3825 C   0  0  0  0  0
    3.0196   -1.4725    3.0306 Cl  0  0  0  0  0
    2.7646    1.6580    3.8803 Cl  0  0  0  0  0
   -1.4293    1.5834    1.5200 H   0  0  0  0  0
    0.3354    2.6257    2.8313 H   0  0  0  0  0
    0.7559   -2.1457    1.5522 H   0  0  0  0  0
   -1.2537   -2.0283    0.4797 H   0  0  0  0  0
   -4.5154   -0.1845   -1.9682 H   0  0  0  0  0
   -4.5787   -4.6589   -1.2493 H   0  0  0  0  0
   -2.8841   -3.4935    0.3639 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 17  1  0  0  0
  2  3  1  0  0  0
  2 18  1  0  0  0
  3  4  2  0  0  0
  3 16  1  0  0  0
  4  5  1  0  0  0
  4 15  1  0  0  0
  5  6  2  0  0  0
  5 19  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 20  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 11  2  0  0  0
 10 14  1  0  0  0
 11 12  1  0  0  0
 11 21  1  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 13 22  1  0  0  0
 14 23  1  0  0  0
M  END

>  <Chemical Name>
N-(3,4-dichlorophenyl)thiophene-3-carboxamide

>  <PubChem CID>
30268259

>  <Formula>
C11H7Cl2NOS

>  <Molecular Weight>
272.143000

>  <IUPAC Name>
N-(3,4-dichlorophenyl)thiophene-3-carboxamide

>  <XlogP>
4.100

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1=CC(=C(C=C1NC(=O)C2=CSC=C2)Cl)Cl

>  <Isomeric SMILES>
C1=CC(=C(C=C1NC(=O)C2=CSC=C2)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C11H7Cl2NOS/c12-9-2-1-8(5-10(9)13)14-11(15)7-3-4-16-6-7/h1-6H,(H,14,15)

>  <InChI Key>
GKCPOBNJSNOQEH-UHFFFAOYSA-N

