chempirical

Metolazone

C16H16ClN3O3SCAS 17560-51-9365.83 g/mol

Open in Covalent MOL file
NOSNH2OOClNH
AmideAryl halideLactamSecondary amineSulfonamide

Properties

Molecular formula
C16H16ClN3O3S
Molar mass
365.83 g/mol
Exact mass
365.0601 Da
Melting point
253–259 °C
logP
2.71Crippen estimate
Polar surface area
92.5 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2

Identifiers

CAS number
17560-51-9
SMILES
Cc1ccccc1N1C(=O)c2cc(S(N)(=O)=O)c(Cl)cc2NC1C
InChIKey
AQCHWTWZEMGIFD-UHFFFAOYSA-N
InChI
InChI=1S/C16H16ClN3O3S/c1-9-5-3-4-6-14(9)20-10(2)19-13-8-12(17)15(24(18,22)23)7-11(13)16(20)21/h3-8,10,19H,1-2H3,(H2,18,22,23)

Weigh it out

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

Names and synonyms

14 names · show all
  • 6-Quinazolinesulfonamide, 7-chloro-1,2,3,4-tetrahydro-2-methyl-3-(2-methylphenyl)-4-oxo-
  • 6-Quinazolinesulfonamide, 7-chloro-1,2,3,4-tetrahydro-2-methyl-4-oxo-3-o-tolyl-
  • 7-Chloro-1,2,3,4-tetrahydro-2-methyl-3-(2-methylphenyl)-4-oxo-6-quinazolinesulfonamide
  • 2-Methyl-3-(o-tolyl)-6-sulfamyl-7-chloro-1,2,3,4-tetrahydro-4-quinazolinone
  • SR 720-22
  • Zaroxolyn
  • Normelan
  • Metozalone
  • Mykrox
  • Diulo
  • Oldren
  • Xuret
  • Metenix
  • Metazoline

Work with Metolazone

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

Xipamide14293-44-842 % similar Fusid54-31-937 % similar 5-(Aminosulfonyl)-2,4-dichlorobenzoic acid2736-23-437 % similar Methyclothiazide135-07-937 % similar 2-Chlorobenzenesulfonamide6961-82-636 % similar 2-Methylbenzenesulfonamide88-19-736 % similar 5-(Aminosulfonyl)-4-chloro-2-hydroxybenzoic acid14556-98-035 % similar Trichlormethiazide133-67-535 % similar

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

Same formula

Indapamide26807-65-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook