
 CHEMBL3763166

 34 36  0  0  0  0  0  0  0  0999 V2000
   -0.0332    2.4213    1.9682 C   0  0  0  0  0
    0.5738    1.4093    1.0414 C   0  0  0  0  0
   -0.3049    1.1620   -0.0133 C   0  0  0  0  0
   -0.0195    0.2749   -1.0307 C   0  0  0  0  0
    1.2144   -0.3801   -0.9844 C   0  0  0  0  0
    2.1102   -0.1273    0.0750 C   0  0  0  0  0
    1.7931    0.7636    1.1117 C   0  0  0  0  0
    3.6994   -0.9222    0.1011 S   0  0  0  0  0
    3.9194   -1.4322    1.4364 O   0  0  0  0  0
    3.8076   -1.7751   -1.0645 O   0  0  0  0  0
    4.7208    0.4109   -0.1384 N   0  0  0  0  0
    6.1603    0.2659   -0.0209 N   0  0  0  0  0
    7.0988    1.3052   -0.0470 C   0  0  0  0  0
    6.7290    2.6504   -0.1717 C   0  0  0  0  0
    7.6937    3.6631   -0.2149 C   0  0  0  0  0
    9.0438    3.3343   -0.1464 C   0  0  0  0  0
    9.4361    2.0040   -0.0385 C   0  0  0  0  0
    8.4659    0.9971    0.0069 C   0  0  0  0  0
   10.3478    4.7003   -0.2040 Br  0  0  0  0  0
   -1.4451    1.9321    0.1416 N   0  0  0  0  0
   -1.3753    2.7165    1.2874 C   0  0  0  0  0
   -2.2291    3.4987    1.6691 O   0  0  0  0  0
    0.5672    3.3339    2.0065 H   0  0  0  0  0
   -0.2074    2.0001    2.9610 H   0  0  0  0  0
   -0.7170    0.0910   -1.8402 H   0  0  0  0  0
    1.4770   -1.0825   -1.7740 H   0  0  0  0  0
    2.4797    0.9414    1.9352 H   0  0  0  0  0
    4.2859    1.3080   -0.3486 H   0  0  0  0  0
    6.4993   -0.6683    0.2158 H   0  0  0  0  0
    5.6850    2.9387   -0.2253 H   0  0  0  0  0
    7.3786    4.6996   -0.3018 H   0  0  0  0  0
   10.4886    1.7372    0.0090 H   0  0  0  0  0
    8.7917   -0.0377    0.0843 H   0  0  0  0  0
   -2.2401    1.9476   -0.4801 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  7  1  0  0  0
  2  3  2  0  0  0
  3 20  1  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4 25  1  0  0  0
  5  6  1  0  0  0
  5 26  1  0  0  0
  6  7  2  0  0  0
  6  8  1  0  0  0
  7 27  1  0  0  0
  8 11  1  0  0  0
  8 10  2  0  0  0
  8  9  2  0  0  0
 11 12  1  0  0  0
 11 28  1  0  0  0
 12 13  1  0  0  0
 12 29  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 30  1  0  0  0
 15 16  2  0  0  0
 15 31  1  0  0  0
 16 17  1  0  0  0
 16 19  1  0  0  0
 17 18  2  0  0  0
 17 32  1  0  0  0
 18 33  1  0  0  0
 20 21  1  0  0  0
 20 34  1  0  0  0
 21 22  2  0  0  0
M  END

>  <Chemical Name>
CHEMBL3763166

>  <PubChem CID>
127037878

>  <Formula>
C14H12BrN3O3S

>  <Molecular Weight>
382.232000

>  <IUPAC Name>
N'-(4-bromophenyl)-2-oxo-1,3-dihydroindole-5-sulfonohydrazide

>  <XlogP>
2.3

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1C2=C(C=CC(=C2)S(=O)(=O)NNC3=CC=C(C=C3)Br)NC1=O

>  <Isomeric SMILES>
C1C2=C(C=CC(=C2)S(=O)(=O)NNC3=CC=C(C=C3)Br)NC1=O

>  <InChI Std. ID>
InChI=1S/C14H12BrN3O3S/c15-10-1-3-11(4-2-10)17-18-22(20,21)12-5-6-13-9(7-12)8-14(19)16-13/h1-7,17-18H,8H2,(H,16,19)

>  <InChI Key>
LLUSLQOHYIRJHX-UHFFFAOYSA-N

