1144
  Mrv0541 02231215162D          

 16 16  0  0  0  0            999 V2000
    1.6500    0.3341    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.3159    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    1.1591    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -1.3159    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9040    1.1591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2540    1.1591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0954   -2.0303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9204   -0.6014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    1.9841    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -1.7284    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -0.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -1.3159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  2 16  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  2  0  0  0  0
  3  9  1  0  0  0  0
  3 11  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  2  0  0  0  0
  4 10  1  0  0  0  0
  4 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 13  2  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
> <DRUGBANK_ID>
DB01144

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Dichlorphenamide

> <SYNONYMS>
4,5-Dicholorobenzene-1,3-disulfonamide; Dichlofenamide; Dichlorophenamide; Dichlorphenamid; Diclofenamida [INN-Spanish]; Diclofenamide; Diclofenamidum [INN-Latin]

> <BRANDS>
Antidrasi; Daranide; Dasanide; Glaucol; Oratrol

> <CHEMICAL_FORMULA>
C6H6Cl2N2O4S2

> <MOLECULAR_WEIGHT>
305.159

> <EXACT_MASS>
303.914603484

> <IUPAC_NAME>
4,5-dichlorobenzene-1,3-disulfonamide

> <INCHI_IDENTIFIER>
InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)

> <INCHI_KEY>
InChIKey=GJQPMPFPNINLKP-UHFFFAOYSA-N

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

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_ACIDIC_PKA>
8.89

> <ALOGPS_LOGP>
0.92

> <JCHEM_LOGP>
0.39

> <ALOGPS_LOGS>
-2.9

> <JCHEM_POLARIZABILITY>
25.04

> <JCHEM_POLAR_SURFACE_AREA>
120.32

> <JCHEM_REFRACTIVITY>
59.98

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <ALOGPS_SOLUBILITY>
3.98e-01 g/l

$$$$