
 SMR000064011

 29 31  0  0  0  0  0  0  0  0999 V2000
    2.2209   -0.3461    0.6447 C   0  0  0  0  0
    1.1171   -1.1938    0.7336 C   0  0  0  0  0
   -0.1809   -0.7311    0.5680 C   0  0  0  0  0
   -0.3926    0.6422    0.3055 C   0  0  0  0  0
   -1.7323    1.0498    0.1221 C   0  0  0  0  0
   -2.7706    0.1284    0.2106 C   0  0  0  0  0
   -2.4473   -1.1837    0.4833 C   0  0  0  0  0
   -1.1838   -1.6212    0.6628 N   0  0  0  0  0
    0.7324    1.5065    0.2464 C   0  0  0  0  0
    2.0271    1.0053    0.3973 C   0  0  0  0  0
    0.6150    2.9141   -0.0266 N   0  0  0  0  0
    0.6844    3.3267   -1.6772 S   0  0  0  0  0
    1.7721    2.6187   -2.3168 O   0  0  0  0  0
   -0.6684    3.2983   -2.1901 O   0  0  0  0  0
    1.1820    5.0361   -1.7315 C   0  0  0  0  0
    2.2896    5.6601   -2.2737 C   0  0  0  0  0
    2.2799    7.0678   -2.0559 C   0  0  0  0  0
    1.1649    7.4711   -1.3548 C   0  0  0  0  0
    0.1463    6.1548   -0.9537 S   0  0  0  0  0
    3.2252   -0.7439    0.7639 H   0  0  0  0  0
    1.2737   -2.2530    0.9280 H   0  0  0  0  0
   -1.9841    2.0804   -0.1097 H   0  0  0  0  0
   -3.8019    0.4280    0.0636 H   0  0  0  0  0
   -3.2163   -1.9469    0.5635 H   0  0  0  0  0
    2.8861    1.6672    0.3201 H   0  0  0  0  0
   -0.2286    3.3276    0.3716 H   0  0  0  0  0
    3.0683    5.1187   -2.7992 H   0  0  0  0  0
    3.0505    7.7492   -2.3967 H   0  0  0  0  0
    0.8993    8.4761   -1.0552 H   0  0  0  0  0
  1 10  1  0  0  0
  1  2  2  0  0  0
  1 20  1  0  0  0
  2  3  1  0  0  0
  2 21  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  9  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5 22  1  0  0  0
  6  7  1  0  0  0
  6 23  1  0  0  0
  7  8  2  0  0  0
  7 24  1  0  0  0
  9 10  2  0  0  0
  9 11  1  0  0  0
 10 25  1  0  0  0
 11 12  1  0  0  0
 11 26  1  0  0  0
 12 15  1  0  0  0
 12 14  2  0  0  0
 12 13  2  0  0  0
 15 16  2  0  0  0
 15 19  1  0  0  0
 16 17  1  0  0  0
 16 27  1  0  0  0
 17 18  2  0  0  0
 17 28  1  0  0  0
 18 19  1  0  0  0
 18 29  1  0  0  0
M  END

>  <Chemical Name>
SMR000064011

>  <PubChem CID>
2082094

>  <Formula>
C13H10N2O2S2

>  <Molecular Weight>
290.355000

>  <IUPAC Name>
N-quinolin-5-ylthiophene-2-sulfonamide

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1=CC2=C(C=CC=N2)C(=C1)NS(=O)(=O)C3=CC=CS3

>  <Isomeric SMILES>
C1=CC2=C(C=CC=N2)C(=C1)NS(=O)(=O)C3=CC=CS3

>  <InChI Std. ID>
InChI=1S/C13H10N2O2S2/c16-19(17,13-7-3-9-18-13)15-12-6-1-5-11-10(12)4-2-8-14-11/h1-9,15H

>  <InChI Key>
ANEULYGKZNTCEI-UHFFFAOYSA-N

