
 3-amino-N-(3-bromo-4-methoxyphenyl)-4-chlorobenzene-1-sulfonamide

 33 34  0  0  0  0  0  0  0  0999 V2000
    4.3191   -1.5211   -0.6322 C   0  0  0  0  0
    3.9021   -0.5944    0.3643 O   0  0  0  0  0
    4.2750    0.7092    0.1707 C   0  0  0  0  0
    4.4155    1.5195    1.3077 C   0  0  0  0  0
    4.7884    2.8620    1.1898 C   0  0  0  0  0
    4.9899    3.4101   -0.0743 C   0  0  0  0  0
    4.8180    2.6260   -1.2127 C   0  0  0  0  0
    4.4696    1.2776   -1.0921 C   0  0  0  0  0
    5.2796    4.7963   -0.2129 N   0  0  0  0  0
    4.0108    5.8421   -0.6257 S   0  0  0  0  0
    4.5539    7.1833   -0.5532 O   0  0  0  0  0
    3.3491    5.3598   -1.8169 O   0  0  0  0  0
    2.8901    5.6546    0.7443 C   0  0  0  0  0
    1.8884    4.6777    0.6897 C   0  0  0  0  0
    1.0184    4.5005    1.7703 C   0  0  0  0  0
    1.2134    5.2873    2.9229 C   0  0  0  0  0
    2.1908    6.2869    2.9602 C   0  0  0  0  0
    3.0295    6.4795    1.8638 C   0  0  0  0  0
    0.2233    5.0589    4.3227 Cl  0  0  0  0  0
    0.1444    3.3998    1.7637 N   0  0  0  0  0
    4.1062    0.8408    3.0555 Br  0  0  0  0  0
    4.1639   -2.5291   -0.2350 H   0  0  0  0  0
    5.3854   -1.4122   -0.8598 H   0  0  0  0  0
    3.7111   -1.4237   -1.5371 H   0  0  0  0  0
    4.8893    3.4758    2.0801 H   0  0  0  0  0
    4.9490    3.0602   -2.2018 H   0  0  0  0  0
    4.3310    0.7030   -2.0026 H   0  0  0  0  0
    5.9029    5.2165    0.4752 H   0  0  0  0  0
    1.8051    4.0341   -0.1839 H   0  0  0  0  0
    2.3077    6.9074    3.8456 H   0  0  0  0  0
    3.7911    7.2558    1.8981 H   0  0  0  0  0
   -0.1971    3.1313    0.8462 H   0  0  0  0  0
   -0.6004    3.4797    2.4539 H   0  0  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 21  1  0  0  0
  5  6  2  0  0  0
  5 25  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  2  0  0  0
  7 26  1  0  0  0
  8 27  1  0  0  0
  9 10  1  0  0  0
  9 28  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 29  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 19  1  0  0  0
 17 18  2  0  0  0
 17 30  1  0  0  0
 18 31  1  0  0  0
 20 32  1  0  0  0
 20 33  1  0  0  0
M  END

>  <Chemical Name>
3-amino-N-(3-bromo-4-methoxyphenyl)-4-chlorobenzene-1-sulfonamide

>  <PubChem CID>
3837254

>  <Formula>
C13H12BrClN2O3S

>  <Molecular Weight>
391.664000

>  <IUPAC Name>
3-amino-N-(3-bromo-4-methoxyphenyl)-4-chlorobenzenesulfonamide

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
COC1=C(C=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)N)Br

>  <Isomeric SMILES>
COC1=C(C=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)N)Br

>  <InChI Std. ID>
InChI=1S/C13H12BrClN2O3S/c1-20-13-5-2-8(6-10(13)14)17-21(18,19)9-3-4-11(15)12(16)7-9/h2-7,17H,16H2,1H3

>  <InChI Key>
AAOZEEQGRPIIKF-UHFFFAOYSA-N

