634
  Mrv0541 02231214502D          

 14 14  0  0  0  0            999 V2000
    2.4751    0.7466    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.7466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3001    0.7466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9041    1.5717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4751    1.5717    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4751   -2.5534    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4751   -0.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7606   -0.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895   -0.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4751   -1.7284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7606   -1.3159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895   -1.3159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    1.9842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    2.8092    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  5  1  0  0  0  0
  1  7  1  0  0  0  0
  4 13  2  0  0  0  0
  5 13  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
> <DATABASE_ID>
DB00634

> <DATABASE_NAME>
drugbank

> <SMILES>
CC(=O)NS(=O)(=O)C1=CC=C(N)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C8H10N2O3S/c1-6(11)10-14(12,13)8-4-2-7(9)3-5-8/h2-5H,9H2,1H3,(H,10,11)

> <INCHI_KEY>
InChIKey=SKIVFJLNDNKQPD-UHFFFAOYSA-N

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
20.491204809580424

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_EXACT_MASS>
214.041212886

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_FORMULA>
C8H10N2O3S

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
N-[(4-aminobenzene)sulfonyl]acetamide

> <ALOGPS_LOGP>
0.15

> <JCHEM_LOGP>
-0.2610410626666669

> <ALOGPS_LOGS>
-1.71

> <JCHEM_MASS>
214.242

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.299983698566216

> <JCHEM_PKA_STRONGEST_BASIC>
2.1375402711797

> <JCHEM_POLAR_SURFACE_AREA>
89.26

> <JCHEM_REFRACTIVITY>
52.482200000000006

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.21e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
N-(4-aminobenzenesulfonyl)acetamide

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB00634

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Sulfacetamide

> <SYNONYMS>
Sulfacetamid; Sulfacetamida; Sulfacétamide; Sulfacetamidum

> <BRANDS>
Acetopt; Albucid; Anginamide; Antebor; Apisulfa; Blef-10; Bleph; BLEPH-10; Cetamide; Cetazin; Klaron; Oftasul; Optal; Ovace; Riacetamid; Sulfacil; Sulphacalyre; Unisulf

> <SALTS>
Sulfacetamide sodium

$$$$