
 2-Amino-N-ethyl-5-nitrobenzenesulfonanilide

 37 38  0  0  0  0  0  0  0  0999 V2000
    1.3041   -0.2635   -2.3534 C   0  0  0  0  0
    1.1792    0.4739   -1.0307 C   0  0  0  0  0
    2.0026    1.7034   -1.0623 N   0  0  0  0  0
    1.3242    2.9608   -0.9222 C   0  0  0  0  0
    1.5436    3.9434   -1.8917 C   0  0  0  0  0
    0.9327    5.1929   -1.7760 C   0  0  0  0  0
    0.1110    5.4667   -0.6831 C   0  0  0  0  0
   -0.0987    4.4925    0.2928 C   0  0  0  0  0
    0.5085    3.2404    0.1756 C   0  0  0  0  0
    3.6045    1.6223   -0.4767 S   0  0  0  0  0
    4.1753    0.3604   -0.9074 O   0  0  0  0  0
    4.2971    2.8632   -0.7732 O   0  0  0  0  0
    3.4343    1.5181    1.3029 C   0  0  0  0  0
    3.4750    2.6639    2.1177 C   0  0  0  0  0
    3.3271    2.4887    3.5038 C   0  0  0  0  0
    3.2670    1.2166    4.0810 C   0  0  0  0  0
    3.3208    0.0886    3.2598 C   0  0  0  0  0
    3.4040    0.2312    1.8714 C   0  0  0  0  0
    3.2756   -1.2525    3.8575 N   0  0  0  0  0
    3.2469   -2.2228    3.0879 O   0  0  0  0  0
    3.2570   -1.3309    5.0935 O   0  0  0  0  0
    3.4212    3.9729    1.6246 N   0  0  0  0  0
    0.6533   -1.1440   -2.3585 H   0  0  0  0  0
    2.3293   -0.6028   -2.5305 H   0  0  0  0  0
    1.0157    0.3800   -3.1915 H   0  0  0  0  0
    1.4721   -0.1796   -0.2044 H   0  0  0  0  0
    0.1215    0.7137   -0.8686 H   0  0  0  0  0
    2.1937    3.7387   -2.7392 H   0  0  0  0  0
    1.1054    5.9528   -2.5340 H   0  0  0  0  0
   -0.3575    6.4427   -0.5885 H   0  0  0  0  0
   -0.7251    4.7137    1.1526 H   0  0  0  0  0
    0.3523    2.5026    0.9553 H   0  0  0  0  0
    3.2656    3.3589    4.1559 H   0  0  0  0  0
    3.1774    1.1288    5.1623 H   0  0  0  0  0
    3.4505   -0.6486    1.2305 H   0  0  0  0  0
    3.7867    4.6866    2.2475 H   0  0  0  0  0
    3.8092    4.0802    0.6792 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  2 26  1  0  0  0
  2 27  1  0  0  0
  3 10  1  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 28  1  0  0  0
  6  7  2  0  0  0
  6 29  1  0  0  0
  7  8  1  0  0  0
  7 30  1  0  0  0
  8  9  2  0  0  0
  8 31  1  0  0  0
  9 32  1  0  0  0
 10 13  1  0  0  0
 10 12  2  0  0  0
 10 11  2  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 22  1  0  0  0
 15 16  2  0  0  0
 15 33  1  0  0  0
 16 17  1  0  0  0
 16 34  1  0  0  0
 17 18  2  0  0  0
 17 19  1  0  0  0
 18 35  1  0  0  0
 19 21  1  0  0  0
 19 20  2  0  0  0
 22 36  1  0  0  0
 22 37  1  0  0  0
M  CHG  2  19   1  21  -1
M  END

>  <Chemical Name>
2-Amino-N-ethyl-5-nitrobenzenesulfonanilide

>  <PubChem CID>
67001

>  <Formula>
C14H15N3O4S

>  <Molecular Weight>
321.351000

>  <IUPAC Name>
2-amino-N-ethyl-5-nitro-N-phenylbenzenesulfonamide

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCN(C1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N

>  <Isomeric SMILES>
CCN(C1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N

>  <InChI Std. ID>
InChI=1S/C14H15N3O4S/c1-2-16(11-6-4-3-5-7-11)22(20,21)14-10-12(17(18)19)8-9-13(14)15/h3-10H,2,15H2,1H3

>  <InChI Key>
AGSWRZMLPKYDNM-UHFFFAOYSA-N

