chempirical

Chlorthalidone

C14H11ClN2O4SCAS 77-36-1338.76 g/mol

Open in Covalent MOL file
NH2SOOOHHNOCl
AlcoholAryl halideSulfonamide

Properties

Molecular formula
C14H11ClN2O4S
Molar mass
338.76 g/mol
Exact mass
338.0128 Da
Melting point
239 °C
logP
1.50Crippen estimate
Polar surface area
113.0 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
2

Identifiers

CAS number
77-36-1
SMILES
NS(=O)(=O)c1cc(C2(O)N=C(O)c3ccccc32)ccc1Cl
InChIKey
JIVPVXMEBJLZRO-UHFFFAOYSA-N
InChI
InChI=1S/C14H11ClN2O4S/c15-11-6-5-8(7-12(11)22(16,20)21)14(19)10-4-2-1-3-9(10)13(18)17-14/h1-7,19H,(H,17,18)(H2,16,20,21)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

35 names · show all
  • Benzenesulfonamide, 2-chloro-5-(2,3-dihydro-1-hydroxy-3-oxo-1H-isoindol-1-yl)-
  • Benzenesulfonamide, 2-chloro-5-(1-hydroxy-3-oxo-1-isoindolinyl)-
  • 2-Chloro-5-(2,3-dihydro-1-hydroxy-3-oxo-1H-isoindol-1-yl)benzenesulfonamide
  • G 33182
  • 2-Chloro-5-(1-hydroxy-3-oxo-1-isoindolinyl)benzenesulfonamide
  • 3-(4′-Chloro-3′-sulfamoylphenyl)-3-hydroxyphthalimidine
  • Chlorothalidone
  • Chlortalidone
  • Chlorthalidon
  • 3-Hydroxy-3-[4-chloro-3-sulfamylphenyl]phthalimidine
  • Hygroton
  • 1-Oxo-3-(3-sulfamyl-4-chlorophenyl)-3-hydroxyisoindoline
  • 1-Oxo-3-(3-sulfamyl-4-chlorophenyl)-3-hydroxy-isoindolinum
  • Phthalamudine
  • 1-Keto-3-(3′-Sulfamyl-4′-chlorophenyl)-3-hydroxyisoindoline
  • 2-Chloro-5-(3-hydroxy-1-oxoisoindol-3-yl)benzenesulfonamide
  • Isoren
  • Natriuran
  • Oradil
  • Renon
  • Saluretin
  • Zambesil
  • Igroton
  • Oxodolin
  • (±)-Chlorthalidone
  • (±)-Hygroton
  • Racemic chlorthalidone
  • Thalitone
  • Demi-regroton
  • NSC 69200
  • Higrotona
  • Higroton
  • ZINC 00020253
  • 2-Chloro-5-(1-hydroxy-3-oxo-2,3-dihydro-1H-isoindol-1-yl)benzenesulfonamide
  • 2-Chloro-5-(1-hydroxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide

Work with Chlorthalidone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Chlorobenzenesulfonamide6961-82-644 % similar 4-Chloro-3-sulfamoylbenzoic acid1205-30-744 % similar Xipamide14293-44-842 % similar Indapamide26807-65-841 % similar Clopamide636-54-440 % similar 5-(Aminosulfonyl)-2,4-dichlorobenzoic acid2736-23-439 % similar 3-(Aminosulfonyl)-4-chlorobenzoyl chloride70049-77-339 % similar 5-(Aminosulfonyl)-4-chloro-2-hydroxybenzoic acid14556-98-037 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook