
 sotalol

 38 38  0  0  0  0  0  0  0  0999 V2000
    3.1614    3.0123   -2.1152 C   0  0  0  0  0
    3.6255    3.6615   -0.8085 C   0  0  0  0  0
    2.6108    4.7216   -0.3742 C   0  0  0  0  0
    3.8318    2.5923    0.1816 N   0  0  0  0  0
    4.2361    3.0525    1.5280 C   0  0  0  0  0
    5.5801    3.8266    1.5430 C   0  0  0  0  0
    5.9891    4.2764    2.9329 C   0  0  0  0  0
    7.2037    3.8825    3.5143 C   0  0  0  0  0
    7.5685    4.3321    4.7862 C   0  0  0  0  0
    6.7260    5.1944    5.4854 C   0  0  0  0  0
    5.5109    5.5871    4.9341 C   0  0  0  0  0
    5.1522    5.1431    3.6594 C   0  0  0  0  0
    7.0667    5.6142    6.8112 N   0  0  0  0  0
    6.5469    4.5558    8.0416 S   0  0  0  0  0
    5.2836    3.9463    7.6848 O   0  0  0  0  0
    7.7047    3.7708    8.4106 O   0  0  0  0  0
    6.2337    5.7255    9.3405 C   0  0  0  0  0
    6.5785    2.9952    0.9382 O   0  0  0  0  0
    3.8845    2.2663   -2.4630 H   0  0  0  0  0
    3.0596    3.7656   -2.9043 H   0  0  0  0  0
    2.1910    2.5170   -1.9970 H   0  0  0  0  0
    4.5827    4.1515   -1.0192 H   0  0  0  0  0
    1.6372    4.2756   -0.1452 H   0  0  0  0  0
    2.4635    5.4594   -1.1710 H   0  0  0  0  0
    2.9517    5.2726    0.5082 H   0  0  0  0  0
    2.9684    2.0538    0.2784 H   0  0  0  0  0
    4.3548    2.1474    2.1383 H   0  0  0  0  0
    3.4272    3.6266    1.9912 H   0  0  0  0  0
    5.5126    4.7295    0.9259 H   0  0  0  0  0
    7.8768    3.2153    2.9782 H   0  0  0  0  0
    8.5054    3.9935    5.2193 H   0  0  0  0  0
    4.8396    6.2361    5.4885 H   0  0  0  0  0
    4.2071    5.4802    3.2391 H   0  0  0  0  0
    8.0790    5.7237    6.9135 H   0  0  0  0  0
    7.1508    6.2806    9.5481 H   0  0  0  0  0
    5.9306    5.1680   10.2295 H   0  0  0  0  0
    5.4301    6.3957    9.0302 H   0  0  0  0  0
    6.0936    2.4886    0.2559 H   0  0  0  0  0
  1  2  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 22  1  0  0  0
  3 23  1  0  0  0
  3 24  1  0  0  0
  3 25  1  0  0  0
  4  5  1  0  0  0
  4 26  1  0  0  0
  5  6  1  0  0  0
  5 27  1  0  0  0
  5 28  1  0  0  0
  6 18  1  0  0  0
  6  7  1  0  0  0
  6 29  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 30  1  0  0  0
  9 10  2  0  0  0
  9 31  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 11 32  1  0  0  0
 12 33  1  0  0  0
 13 14  1  0  0  0
 13 34  1  0  0  0
 14 17  1  0  0  0
 14 16  2  0  0  0
 14 15  2  0  0  0
 17 35  1  0  0  0
 17 36  1  0  0  0
 17 37  1  0  0  0
 18 38  1  0  0  0
M  END

>  <Chemical Name>
sotalol

>  <PubChem CID>
5253

>  <Formula>
C12H20N2O3S

>  <Molecular Weight>
272.363000

>  <IUPAC Name>
N-[4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide

>  <XlogP>
0.200

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(C)NCC(C1=CC=C(C=C1)NS(=O)(=O)C)O

>  <Isomeric SMILES>
CC(C)NCC(C1=CC=C(C=C1)NS(=O)(=O)C)O

>  <InChI Std. ID>
InChI=1S/C12H20N2O3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,12-15H,8H2,1-3H3

>  <InChI Key>
ZBMZVLHSJCTVON-UHFFFAOYSA-N

