
 CHEMBL107083

 41 42  0  0  0  0  0  0  0  0999 V2000
   -2.1836    0.2554    3.4646 C   0  0  0  0  0
   -1.8959   -0.9949    4.0155 C   0  0  0  0  0
   -2.9328   -1.8032    4.4749 C   0  0  0  0  0
   -4.2558   -1.3761    4.3803 C   0  0  0  0  0
   -4.5451   -0.1282    3.8218 C   0  0  0  0  0
   -3.5110    0.7030    3.3666 C   0  0  0  0  0
   -3.8127    2.0573    2.7662 C   0  0  0  0  0
   -3.5940    2.0437    1.3125 N   0  0  0  0  0
   -3.8373    3.4969    0.5365 S   0  0  0  0  0
   -3.1714    4.5310    1.2845 O   0  0  0  0  0
   -3.5896    3.2869   -0.8668 O   0  0  0  0  0
   -5.4795    3.6900    0.7596 N   0  0  0  0  0
   -6.3568    2.6986    0.1053 C   0  0  0  0  0
   -7.7919    2.9963    0.5307 C   0  0  0  0  0
   -8.7974    2.0454   -0.1238 C   0  0  0  0  0
  -10.2452    2.3476    0.2806 C   0  0  0  0  0
  -10.7002    3.6831   -0.1920 C   0  0  0  0  0
  -10.7141    4.9198    0.4186 C   0  0  0  0  0
  -11.1891    5.8818   -0.4328 N   0  0  0  0  0
  -11.4812    5.2471   -1.5437 C   0  0  0  0  0
  -11.2145    3.9114   -1.4444 N   0  0  0  0  0
   -2.5769   -3.3381    5.1658 Cl  0  0  0  0  0
   -1.3650    0.8814    3.1151 H   0  0  0  0  0
   -0.8641   -1.3290    4.0855 H   0  0  0  0  0
   -5.0640   -2.0079    4.7387 H   0  0  0  0  0
   -5.5827    0.1914    3.7482 H   0  0  0  0  0
   -3.1640    2.7953    3.2503 H   0  0  0  0  0
   -4.8515    2.3292    2.9867 H   0  0  0  0  0
   -2.6701    1.6947    1.0632 H   0  0  0  0  0
   -5.7218    4.6485    0.5006 H   0  0  0  0  0
   -6.0865    1.6831    0.4109 H   0  0  0  0  0
   -6.2660    2.7849   -0.9826 H   0  0  0  0  0
   -8.0215    4.0335    0.2618 H   0  0  0  0  0
   -7.8760    2.9280    1.6227 H   0  0  0  0  0
   -8.5608    1.0157    0.1721 H   0  0  0  0  0
   -8.6965    2.0944   -1.2152 H   0  0  0  0  0
  -10.3458    2.2875    1.3710 H   0  0  0  0  0
  -10.9005    1.5722   -0.1357 H   0  0  0  0  0
  -10.3859    5.1707    1.4194 H   0  0  0  0  0
  -11.8836    5.6955   -2.4423 H   0  0  0  0  0
  -11.3606    3.2246   -2.1711 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  2  0  0  0
  1 23  1  0  0  0
  2  3  1  0  0  0
  2 24  1  0  0  0
  3  4  2  0  0  0
  3 22  1  0  0  0
  4  5  1  0  0  0
  4 25  1  0  0  0
  5  6  2  0  0  0
  5 26  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 27  1  0  0  0
  7 28  1  0  0  0
  8  9  1  0  0  0
  8 29  1  0  0  0
  9 12  1  0  0  0
  9 11  2  0  0  0
  9 10  2  0  0  0
 12 13  1  0  0  0
 12 30  1  0  0  0
 13 14  1  0  0  0
 13 31  1  0  0  0
 13 32  1  0  0  0
 14 15  1  0  0  0
 14 33  1  0  0  0
 14 34  1  0  0  0
 15 16  1  0  0  0
 15 35  1  0  0  0
 15 36  1  0  0  0
 16 17  1  0  0  0
 16 37  1  0  0  0
 16 38  1  0  0  0
 17 18  2  0  0  0
 17 21  1  0  0  0
 18 19  1  0  0  0
 18 39  1  0  0  0
 19 20  2  0  0  0
 20 21  1  0  0  0
 20 40  1  0  0  0
 21 41  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL107083

>  <PubChem CID>
44214148

>  <Formula>
C14H19ClN4O2S

>  <Molecular Weight>
342.842000

>  <IUPAC Name>
N-[(4-chlorophenyl)methylsulfamoyl]-4-(1H-imidazol-5-yl)butan-1-amine

>  <XlogP>
2.0

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1=CC(=CC=C1CNS(=O)(=O)NCCCCC2=CN=CN2)Cl

>  <Isomeric SMILES>
C1=CC(=CC=C1CNS(=O)(=O)NCCCCC2=CN=CN2)Cl

>  <InChI Std. ID>
InChI=1S/C14H19ClN4O2S/c15-13-6-4-12(5-7-13)9-19-22(20,21)18-8-2-1-3-14-10-16-11-17-14/h4-7,10-11,18-19H,1-3,8-9H2,(H,16,17)

>  <InChI Key>
CKQJIDQDQRXNNF-UHFFFAOYSA-N

