1582
  Mrv0541 02231215342D          

 19 20  0  0  0  0            999 V2000
    2.4751    0.1279    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.1279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3001    0.1279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4751    0.9529    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9041    0.9529    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    2.1904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4751   -3.1722    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4751   -0.6971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7606   -1.1096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895   -1.1096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    1.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4751   -2.3472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7606   -1.9347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895   -1.9347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6185    1.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9041    2.6029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6185    2.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3330    0.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9041    3.4280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  1  8  1  0  0  0  0
  4 11  1  0  0  0  0
  5 11  1  0  0  0  0
  5 15  2  0  0  0  0
  6 11  2  0  0  0  0
  6 16  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 16 19  1  0  0  0  0
M  END
> <DATABASE_ID>
DB01582

> <DATABASE_NAME>
drugbank

> <SMILES>
CC1=CC(C)=NC(NS(=O)(=O)C2=CC=C(N)C=C2)=N1

> <INCHI_IDENTIFIER>
InChI=1S/C12H14N4O2S/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)

> <INCHI_KEY>
ASWVTGNCAZCNNR-UHFFFAOYSA-N

> <FORMULA>
C12H14N4O2S

> <MOLECULAR_WEIGHT>
278.33

> <EXACT_MASS>
278.083746402

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
33

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-0.5036958532229254

> <JCHEM_AVERAGE_POLARIZABILITY>
28.801909322826223

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzene-1-sulfonamide

> <ALOGPS_LOGP>
0.43

> <JCHEM_LOGP>
0.6500011459999999

> <ALOGPS_LOGS>
-3.08

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
-1

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.993568276859255

> <JCHEM_PKA_STRONGEST_BASIC>
1.9977089408222475

> <JCHEM_POLAR_SURFACE_AREA>
97.97

> <JCHEM_REFRACTIVITY>
73.38390000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.30e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
biotin

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB01582

> <DRUG_GROUPS>
approved; investigational; vet_approved

> <GENERIC_NAME>
Sulfamethazine

> <SYNONYMS>
(p-Aminobenzolsulfonyl)-2-amino-4,6-dimethylpyrimidin; 2-(4-Aminobenzenesulfonamido)-4,6-dimethylpyrimidine; 2-(p-Aminobenzenesulfonamido)-4,6-dimethylpyrimidine; 2-Sulfanilamido-4,6-dimethylpyrimidine; 4-Amino-N-(2,6-dimethyl-4-pyrimidinyl)benzenesulfonamide; 4-Amino-N-(4,6-dimethyl-pyrimidin-2-yl)-benzenesulfonamide; 4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide; 4,6-Dimethyl-2-sulfanilamidopyrimidine; 6-(4'-Aminobenzol-sulfonamido)-2,4-dimethylpyrimidin; N-(4,6-Dimethyl-2-pyrimidyl)sulfanilamide; N(1)-(4,6-Dimethyl-2-pyrimidinyl)sulfanilamide; N(1)-(4,6-Dimethyl-2-pyrimidyl)sulfanilamide; SMZ; Sulfadimethyldiazine; Sulfadimethylpyrimidine; Sulfadimidina; Sulfadimidine; Sulfadimidinum; Sulfametazina; Sulfametazyny; Sulfamethazine; Sulfamezathine; Sulphadimethylpyrimidine; Sulphamethazine

> <PRODUCTS>
Trisulfaminic Sus; Trisulfaminic Tab

> <SALTS>
Sulfamethazine sodium

$$$$