HS7
  Mrv0541 02241213442D          

 15 15  0  0  0  0            999 V2000
   -2.4557   -1.3393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4557   -0.5143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1702   -0.1018    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8847   -0.5143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7412   -0.1018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0268   -0.5143    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3123   -0.1018    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1002   -0.8163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7248    0.6127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4022    0.3107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4022    1.1357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1166   -0.1018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8311    0.3107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8311    1.1357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1166    1.5482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
> <DATABASE_ID>
DB07922

> <DATABASE_NAME>
drugbank

> <SMILES>
O=NC(=O)CNS(=O)(=O)C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C8H8N2O4S/c11-8(10-12)6-9-15(13,14)7-4-2-1-3-5-7/h1-5,9H,6H2

> <INCHI_KEY>
LBEMJFIVKDOIBO-UHFFFAOYSA-N

> <FORMULA>
C8H8N2O4S

> <MOLECULAR_WEIGHT>
228.225

> <EXACT_MASS>
228.020477444

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
23

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-0.0007002493408146057

> <JCHEM_AVERAGE_POLARIZABILITY>
20.328201119062555

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-benzenesulfonamido-N-oxoacetamide

> <ALOGPS_LOGP>
0.16

> <JCHEM_LOGP>
-0.22378355966666663

> <ALOGPS_LOGS>
-2.40

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
15.864091884872678

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.154442821528447

> <JCHEM_POLAR_SURFACE_AREA>
92.66999999999999

> <JCHEM_REFRACTIVITY>
50.86230000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
9.05e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
biotin

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB07922

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
N-oxo-2-(phenylsulfonylamino)ethanamide

$$$$