259
  Mrv0541 02231214332D          

 11 11  0  0  0  0            999 V2000
    2.4751    1.2375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3001    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4751    2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4751   -2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4751    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7606    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4751   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7606   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895   -0.8250    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  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
M  END
> <DRUGBANK_ID>
DB00259

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Sulfanilamide

> <SYNONYMS>
P-Aminobenzenesulfamide; P-Aminobenzenesulfonamide; P-Aminobenzenesulfonylamide; P-Aminobenzensulfonamide; P-Aminophenylsulfonamide; P-Anilinesulfonamide; P-Sulfamidoaniline; P-Sulfamoylaniline; PABS; Sulfanilimidic Acid; Sulfonylamide; Sulphanilamide; Sulphonamide

> <BRANDS>
Albexan; Albosal; Ambeside; Antistrept; Astreptine; Astrocid; AVC; Bacteramid; Bactesid; Collomide; Colsulanyde; Copticide; Deseptyl; Desseptyl; Dipron; Ergaseptine; Erysipan; Estreptocida; Exoseptoplix; Fourneau 1162; Gerison; Gombardol; HSDB 223; Infepan; Lusil; Lysococcine; Neococcyl; Orgaseptine; Prontalbin; Prontosil Album; Prontosil I; Prontosil White; Prontylin; Pronzin Album; Proseptal; Proseptine; Proseptol; Pysococcine; Rubiazol A; Sanamid; Septamide Album; Septanilam; Septinal; Septolix; Septoplex; Septoplix; Stopton Album; Stramid; Strepamide; Strepsan; Streptagol; Streptamid; Streptamin; Streptasol; Streptocid; Streptocid Album; Streptocide; Streptocide White; Streptocidum; Streptoclase; Streptocom; Streptol; Strepton; Streptopan; Streptosil; Streptozol; Streptozone; Streptrocide; Sulfamidyl; Sulfamine; Sulfana; Sulfanalone; Sulfanidyl; Sulfanil; Sulfanilamide Vaginal Cream; Sulfocidin; Sulfocidine; Sulfonamide; Sulfonamide P; Sulphanilamide Extra Pure; Sulphanilamide Gr; Therapol; Tolder; White Streptocide

> <CHEMICAL_FORMULA>
C6H8N2O2S

> <MOLECULAR_WEIGHT>
172.205

> <EXACT_MASS>
172.0306482

> <IUPAC_NAME>
4-aminobenzene-1-sulfonamide

> <INCHI_IDENTIFIER>
InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)

> <INCHI_KEY>
InChIKey=FDDDEECHVMSUSB-UHFFFAOYSA-N

> <SMILES>
NC1=CC=C(C=C1)S(N)(=O)=O

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_DONOR_COUNT>
2

> <ALOGPS_LOGP>
-0.16

> <JCHEM_LOGP>
-0.25

> <ALOGPS_LOGS>
-1.2

> <JCHEM_POLARIZABILITY>
16.25

> <JCHEM_POLAR_SURFACE_AREA>
86.18

> <JCHEM_REFRACTIVITY>
42.92

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <ALOGPS_SOLUBILITY>
1.04e+01 g/l

$$$$