
 CHEMBL305174

 33 34  0  0  0  0  0  0  0  0999 V2000
    6.7007   -2.4904    3.6213 C   0  0  0  0  0
    5.6748   -2.9642    4.4084 C   0  0  0  0  0
    4.1581   -2.8370    3.6292 S   0  0  0  0  0
    4.8578   -2.1429    2.2294 C   0  0  0  0  0
    6.2290   -2.0166    2.3632 C   0  0  0  0  0
    3.7643   -1.7251    0.8890 S   0  0  0  0  0
    2.4574   -1.4681    1.4484 O   0  0  0  0  0
    4.4753   -0.7207    0.1299 O   0  0  0  0  0
    3.6446   -3.0737   -0.1269 N   0  0  0  0  0
    2.8603   -4.2157    0.3749 C   0  0  0  0  0
    2.8977   -5.3565   -0.6412 C   0  0  0  0  0
    4.3005   -5.8664   -1.0024 C   0  0  0  0  0
    5.1559   -6.3438    0.1747 C   0  0  0  0  0
    4.5667   -7.5062    0.8923 C   0  0  0  0  0
    4.2011   -8.7671    0.4697 C   0  0  0  0  0
    3.7049   -9.5085    1.5089 N   0  0  0  0  0
    3.7784   -8.7262    2.5596 C   0  0  0  0  0
    4.2972   -7.5041    2.2386 N   0  0  0  0  0
    7.7377   -2.4762    3.9359 H   0  0  0  0  0
    5.7409   -3.3721    5.4081 H   0  0  0  0  0
    6.8549   -1.5911    1.5870 H   0  0  0  0  0
    3.3428   -2.7466   -1.0470 H   0  0  0  0  0
    1.8184   -3.9094    0.5168 H   0  0  0  0  0
    3.2528   -4.5605    1.3336 H   0  0  0  0  0
    2.4103   -5.0249   -1.5670 H   0  0  0  0  0
    2.2920   -6.1864   -0.2577 H   0  0  0  0  0
    4.8473   -5.0722   -1.5257 H   0  0  0  0  0
    4.1891   -6.6820   -1.7285 H   0  0  0  0  0
    5.3426   -5.5161    0.8684 H   0  0  0  0  0
    6.1391   -6.6427   -0.2102 H   0  0  0  0  0
    4.2673   -9.1795   -0.5296 H   0  0  0  0  0
    3.4784   -8.9864    3.5657 H   0  0  0  0  0
    4.4588   -6.7448    2.8859 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  2  0  0  0
  1 19  1  0  0  0
  2  3  1  0  0  0
  2 20  1  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4  6  1  0  0  0
  5 21  1  0  0  0
  6  9  1  0  0  0
  6  8  2  0  0  0
  6  7  2  0  0  0
  9 10  1  0  0  0
  9 22  1  0  0  0
 10 11  1  0  0  0
 10 23  1  0  0  0
 10 24  1  0  0  0
 11 12  1  0  0  0
 11 25  1  0  0  0
 11 26  1  0  0  0
 12 13  1  0  0  0
 12 27  1  0  0  0
 12 28  1  0  0  0
 13 14  1  0  0  0
 13 29  1  0  0  0
 13 30  1  0  0  0
 14 15  2  0  0  0
 14 18  1  0  0  0
 15 16  1  0  0  0
 15 31  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 17 32  1  0  0  0
 18 33  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL305174

>  <PubChem CID>
44308605

>  <Formula>
C11H15N3O2S2

>  <Molecular Weight>
285.380000

>  <IUPAC Name>
N-[4-(1H-imidazol-5-yl)butyl]thiophene-2-sulfonamide

>  <XlogP>
1.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1=CSC(=C1)S(=O)(=O)NCCCCC2=CN=CN2

>  <Isomeric SMILES>
C1=CSC(=C1)S(=O)(=O)NCCCCC2=CN=CN2

>  <InChI Std. ID>
InChI=1S/C11H15N3O2S2/c15-18(16,11-5-3-7-17-11)14-6-2-1-4-10-8-12-9-13-10/h3,5,7-9,14H,1-2,4,6H2,(H,12,13)

>  <InChI Key>
BLQYDUGKYDYGQP-UHFFFAOYSA-N

