672
  Mrv0541 02231214552D          

 17 17  0  0  0  0            999 V2000
    2.4751   -3.5063    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4751   -0.2063    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3001   -0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9041    0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4751    0.6188    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    1.8563    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9041    2.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4751   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9041    3.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7606   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6185    3.5063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895   -2.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7606   -2.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4751   -2.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  6  1  0  0  0  0
  2  9  1  0  0  0  0
  5 11  2  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8 10  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
> <DRUGBANK_ID>
DB00672

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Chlorpropamide

> <SYNONYMS>
Chlorporpamide

> <BRANDS>
Adiaben; Apo-Chlorpropamide; Asucrol; Catanil; Chlorodiabina; Chloronase; Chloropropamide; Chlorpropamid; Chlorpropamide Bp/ Usp; Clorpropamide; Diabaril; Diabechlor; Diabenal; Diabenese; Diabeneza; Diabet-Pages; Diabetoral; Diabinese; Diamel Ex; Dynalase; Glisema; Glucamide; Insulase; Meldian; Melitase; Mellinese; Millinese; Novo-Propamide; Oradian; Stabinol

> <CHEMICAL_FORMULA>
C10H13ClN2O3S

> <MOLECULAR_WEIGHT>
276.74

> <EXACT_MASS>
276.033540689

> <IUPAC_NAME>
1-[(4-chlorobenzene)sulfonyl]-3-propylurea

> <INCHI_IDENTIFIER>
InChI=1S/C10H13ClN2O3S/c1-2-7-12-10(14)13-17(15,16)9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3,(H2,12,13,14)

> <INCHI_KEY>
InChIKey=RKWGIWYCVPQPMF-UHFFFAOYSA-N

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

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_ACIDIC_PKA>
17.07

> <ALOGPS_LOGP>
2.15

> <JCHEM_LOGP>
1.94

> <ALOGPS_LOGS>
-3.2

> <JCHEM_POLARIZABILITY>
27.06

> <JCHEM_POLAR_SURFACE_AREA>
75.27

> <JCHEM_REFRACTIVITY>
65.43

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <ALOGPS_SOLUBILITY>
1.57e-01 g/l

$$$$