
 CHEMBL266684

 40 42  0  0  0  0  0  0  0  0999 V2000
    1.1121   -0.4635    0.9636 C   0  0  0  0  0
    2.5000   -0.4735    0.4946 N   0  0  0  0  0
    2.7573   -1.4683   -0.5548 C   0  0  0  0  0
    3.0731    0.7882    0.1797 C   0  0  0  0  0
    2.2920    1.8158   -0.3695 C   0  0  0  0  0
    2.8587    3.0325   -0.7187 C   0  0  0  0  0
    4.2174    3.2547   -0.5074 C   0  0  0  0  0
    5.0608    2.2802    0.0812 C   0  0  0  0  0
    4.4716    1.0226    0.4046 C   0  0  0  0  0
    5.3003    0.0221    0.9658 C   0  0  0  0  0
    6.6647    0.2052    1.1764 C   0  0  0  0  0
    7.2402    1.4291    0.8849 C   0  0  0  0  0
    6.4483    2.4685    0.3743 C   0  0  0  0  0
    7.2640    4.0475    0.1507 S   0  0  0  0  0
    8.6375    3.9248    0.6029 O   0  0  0  0  0
    6.9834    4.4958   -1.1973 O   0  0  0  0  0
    6.4624    5.0952    1.2061 N   0  0  0  0  0
    6.5691    4.7922    2.5754 C   0  0  0  0  0
    5.4931    4.1437    3.0474 N   0  0  0  0  0
    5.4986    3.8621    4.3731 C   0  0  0  0  0
    6.5223    4.2305    5.2354 C   0  0  0  0  0
    7.6218    4.9003    4.7069 C   0  0  0  0  0
    7.6574    5.1762    3.3409 C   0  0  0  0  0
    6.4050    3.8147    7.2573 I   0  0  0  0  0
    0.9442    0.3222    1.7093 H   0  0  0  0  0
    0.8834   -1.4199    1.4471 H   0  0  0  0  0
    0.4021   -0.3328    0.1387 H   0  0  0  0  0
    2.0545   -1.3547   -1.3880 H   0  0  0  0  0
    2.6328   -2.4730   -0.1360 H   0  0  0  0  0
    3.7745   -1.4120   -0.9569 H   0  0  0  0  0
    1.2339    1.6723   -0.5638 H   0  0  0  0  0
    2.2450    3.8084   -1.1698 H   0  0  0  0  0
    4.6014    4.2134   -0.8442 H   0  0  0  0  0
    4.8702   -0.9383    1.2460 H   0  0  0  0  0
    7.2658   -0.6037    1.5828 H   0  0  0  0  0
    8.3026    1.5690    1.0719 H   0  0  0  0  0
    5.4751    5.1528    0.9634 H   0  0  0  0  0
    4.6216    3.3239    4.7229 H   0  0  0  0  0
    8.4454    5.2211    5.3403 H   0  0  0  0  0
    8.4933    5.7064    2.8978 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 28  1  0  0  0
  3 29  1  0  0  0
  3 30  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 31  1  0  0  0
  6  7  2  0  0  0
  6 32  1  0  0  0
  7  8  1  0  0  0
  7 33  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 34  1  0  0  0
 11 12  1  0  0  0
 11 35  1  0  0  0
 12 13  2  0  0  0
 12 36  1  0  0  0
 13 14  1  0  0  0
 14 17  1  0  0  0
 14 16  2  0  0  0
 14 15  2  0  0  0
 17 18  1  0  0  0
 17 37  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 20 21  2  0  0  0
 20 38  1  0  0  0
 21 22  1  0  0  0
 21 24  1  0  0  0
 22 23  2  0  0  0
 22 39  1  0  0  0
 23 40  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL266684

>  <PubChem CID>
10789830

>  <Formula>
C17H16IN3O2S

>  <Molecular Weight>
453.298000

>  <IUPAC Name>
5-(dimethylamino)-N-(5-iodopyridin-2-yl)naphthalene-1-sulfonamide

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NC3=NC=C(C=C3)I

>  <Isomeric SMILES>
CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NC3=NC=C(C=C3)I

>  <InChI Std. ID>
InChI=1S/C17H16IN3O2S/c1-21(2)15-7-3-6-14-13(15)5-4-8-16(14)24(22,23)20-17-10-9-12(18)11-19-17/h3-11H,1-2H3,(H,19,20)

>  <InChI Key>
AVIZINDXBJTFCL-UHFFFAOYSA-N

