
 2-(Methylamino)diphenyl sulfone

 30 31  0  0  0  0  0  0  0  0999 V2000
    0.4570    1.1129   -0.2823 C   0  0  0  0  0
    1.8746    0.8297   -0.1318 N   0  0  0  0  0
    2.8270    1.8355   -0.3510 C   0  0  0  0  0
    2.4833    3.1978   -0.3045 C   0  0  0  0  0
    3.4387    4.2105   -0.4580 C   0  0  0  0  0
    4.7778    3.8882   -0.6350 C   0  0  0  0  0
    5.1629    2.5524   -0.6415 C   0  0  0  0  0
    4.2001    1.5398   -0.4777 C   0  0  0  0  0
    4.7865   -0.1446   -0.4791 S   0  0  0  0  0
    3.7292   -0.9889   -1.0145 O   0  0  0  0  0
    6.0933   -0.1541   -1.1181 O   0  0  0  0  0
    5.0347   -0.5963    1.2237 C   0  0  0  0  0
    3.9864   -1.1699    1.9481 C   0  0  0  0  0
    4.1960   -1.5501    3.2744 C   0  0  0  0  0
    5.4471   -1.3653    3.8647 C   0  0  0  0  0
    6.4948   -0.8040    3.1332 C   0  0  0  0  0
    6.2938   -0.4218    1.8067 C   0  0  0  0  0
   -0.1072    0.1812   -0.1718 H   0  0  0  0  0
    0.2338    1.5239   -1.2724 H   0  0  0  0  0
    0.1029    1.7984    0.4942 H   0  0  0  0  0
    2.1350   -0.0380   -0.6212 H   0  0  0  0  0
    1.4533    3.5084   -0.1523 H   0  0  0  0  0
    3.1288    5.2524   -0.4345 H   0  0  0  0  0
    5.5192    4.6735   -0.7579 H   0  0  0  0  0
    6.2153    2.3072   -0.7697 H   0  0  0  0  0
    3.0104   -1.3225    1.4938 H   0  0  0  0  0
    3.3851   -1.9948    3.8457 H   0  0  0  0  0
    5.6076   -1.6666    4.8978 H   0  0  0  0  0
    7.4697   -0.6718    3.5956 H   0  0  0  0  0
    7.1192    0.0011    1.2391 H   0  0  0  0  0
  1  2  1  0  0  0
  1 18  1  0  0  0
  1 19  1  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  5  1  0  0  0
  4 22  1  0  0  0
  5  6  2  0  0  0
  5 23  1  0  0  0
  6  7  1  0  0  0
  6 24  1  0  0  0
  7  8  2  0  0  0
  7 25  1  0  0  0
  8  9  1  0  0  0
  9 12  1  0  0  0
  9 11  2  0  0  0
  9 10  2  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 26  1  0  0  0
 14 15  2  0  0  0
 14 27  1  0  0  0
 15 16  1  0  0  0
 15 28  1  0  0  0
 16 17  2  0  0  0
 16 29  1  0  0  0
 17 30  1  0  0  0
M  END

>  <Chemical Name>
2-(Methylamino)diphenyl sulfone

>  <PubChem CID>
10658135

>  <Formula>
C13H13NO2S

>  <Molecular Weight>
247.312000

>  <IUPAC Name>
2-(benzenesulfonyl)-N-methylaniline

>  <XlogP>
3.300

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CNC1=CC=CC=C1S(=O)(=O)C2=CC=CC=C2

>  <Isomeric SMILES>
CNC1=CC=CC=C1S(=O)(=O)C2=CC=CC=C2

>  <InChI Std. ID>
InChI=1S/C13H13NO2S/c1-14-12-9-5-6-10-13(12)17(15,16)11-7-3-2-4-8-11/h2-10,14H,1H3

>  <InChI Key>
AMJNIYXKOUQCJQ-UHFFFAOYSA-N

