808
  Mrv0541 02231215012D          

 24 26  0  0  1  0            999 V2000
    5.9484    2.7900    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.0504    1.5619    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.4742   -0.9608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8802    2.3692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2205    0.7546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8596   -1.3010    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1159   -0.5169    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8576    1.7320    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3411   -1.9650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8596   -2.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -2.3775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -1.5525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1661   -1.9650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -2.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -1.1400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -2.3775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.5525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9232   -0.3468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1795    0.4374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9868    0.6075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2431    1.3918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6285    1.0515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6921    2.0058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8848    1.8356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  8  1  0  0  0  0
  2 21  1  0  0  0  0
  3 18  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 12  1  0  0  0  0
  7 18  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 22  1  0  0  0  0
 20 21  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
> <DRUGBANK_ID>
DB00808

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Indapamide

> <SYNONYMS>
Indapamida [INN-Spanish]; Indapamidum [INN-Latin]

> <BRANDS>
Apo-Indapamide; Arifon; Bajaten; Cormil; Fludex; Idapamide; Indamol; Ipamix; Lozide; Lozol; Natrilix; Natrix; Noranat; Novo-Indapamide; Nu-Indapamide; Pressurai; Tandix; Tertensif; Veroxil

> <CHEMICAL_FORMULA>
C16H16ClN3O3S

> <MOLECULAR_WEIGHT>
365.835

> <EXACT_MASS>
365.06008979

> <IUPAC_NAME>
4-chloro-N-(2-methyl-2,3-dihydro-1H-indol-1-yl)-3-sulfamoylbenzamide

> <INCHI_IDENTIFIER>
InChI=1S/C16H16ClN3O3S/c1-10-8-11-4-2-3-5-14(11)20(10)19-16(21)12-6-7-13(17)15(9-12)24(18,22)23/h2-7,9-10H,8H2,1H3,(H,19,21)(H2,18,22,23)

> <INCHI_KEY>
InChIKey=NDDAHWYSQHTHNT-UHFFFAOYSA-N

> <SMILES>
CC1CC2=CC=CC=C2N1NC(=O)C1=CC(=C(Cl)C=C1)S(N)(=O)=O

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_ACIDIC_PKA>
11.69

> <ALOGPS_LOGP>
2.52

> <JCHEM_LOGP>
2.64

> <ALOGPS_LOGS>
-4

> <JCHEM_POLARIZABILITY>
36.34

> <JCHEM_POLAR_SURFACE_AREA>
92.5

> <JCHEM_REFRACTIVITY>
103.31

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <ALOGPS_SOLUBILITY>
3.42e-02 g/l

$$$$