Chlorothiazide

C₇H₆ClN₃O₄S₂CAS 58-94-6295.71 g/mol

Open in Covalent MOL file

Aryl halide Sulfonamide

Properties

Molecular formula: C₇H₆ClN₃O₄S₂
Molar mass: 295.71 g/mol
Exact mass: 294.9488 Da
Melting point: 342.5–343 °C (decomposes)
pKa: 6.85, 9.45
Water solubility: < 1 g/L (19.5 °C)
logP: -0.06Crippen estimate
Polar surface area: 118.7 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 1

Hazards

Danger

H317 May cause an allergic skin reaction99.7% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled100% of notifiers

Aggregated from 344 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P261, P271, P272, P280, P284, P302+P352, P304+P340, P321, P333+P317, P342+P316, P362+P364, P403, P501

Identifiers

CAS number

58-94-6

SMILES

NS(=O)(=O)c1cc2c(cc1Cl)N=CNS2(=O)=O

InChIKey

JBMKAUGHUNFTOL-UHFFFAOYSA-N

InChI

InChI=1S/C7H6ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-3H,(H,10,11)(H2,9,12,13)

Weigh it out

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

Names and synonyms

29 names · show all

2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-, 1,1-dioxide
Alurene
6-Chloro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
6-Chloro-7-sulfamoyl-2H-1,2,4-benzothiadiazine 1,1-dioxide
Chlorthiazide
Chlotride
Diuresal
Diurilix
Diutrid
Minzil
neo-Dema
Salisan
Saluretil
Saluric
Yadalan
Chlorurit
Diuril
6-Chloro-7-sulfamyl-1,2,4-benzothiadiazine 1,1-dioxide
Chlorosal
Clotride
Diurite
Flumen
Salunil
Warduzide
Urinex
Chlorothiazid
Thiazide
Diuril boluses
NSC 25693

Work with Chlorothiazide

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

Hydrochlorothiazide58-93-548 % similar 4-Amino-6-chloro-1,3-benzenedisulfonamide121-30-248 % similar Trichlormethiazide133-67-544 % similar 2-Chlorobenzenesulfonamide6961-82-640 % similar 4-Amino-2-chloro-5-hydroxybenzenesulfonamide41606-65-940 % similar Cyclopenthiazide742-20-140 % similar 4-Chloro-2,5-dimethylbenzenesulfonamide219689-73-340 % similar 5-(Aminosulfonyl)-2,4-dichlorobenzoic acid2736-23-439 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia