chempirical

Bendroflumethiazide

C15H14F3N3O4S2CAS 73-48-3421.41 g/mol

Open in Covalent MOL file
H2NSOOFFFNHNHSOO
Alkyl halideSecondary amineSulfonamide

Properties

Molecular formula
C15H14F3N3O4S2
Molar mass
421.41 g/mol
Exact mass
421.0378 Da
Melting point
221–223 °C
Water solubility
108 mg/L (25 °C)
logP
1.63Crippen estimate
Polar surface area
118.4 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
3

Hazards

Not classified as hazardous under GHS by 59 ECHA notifiers. Aggregated from 59 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
73-48-3
SMILES
NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NC(Cc1ccccc1)NS2(=O)=O
InChIKey
HDWIHXWEUNVBIY-UHFFFAOYSA-N
InChI
InChI=1S/C15H14F3N3O4S2/c16-15(17,18)10-7-11-13(8-12(10)26(19,22)23)27(24,25)21-14(20-11)6-9-4-2-1-3-5-9/h1-5,7-8,14,20-21H,6H2,(H2,19,22,23)

Weigh it out

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

Names and synonyms

54 names · show all
  • 2H-1,2,4-Benzothiadiazine-7-sulfonamide, 3,4-dihydro-3-(phenylmethyl)-6-(trifluoromethyl)-, 1,1-dioxide
  • 2H-1,2,4-Benzothiadiazine-7-sulfonamide, 3-benzyl-3,4-dihydro-6-(trifluoromethyl)-, 1,1-dioxide
  • Aprinox
  • Bendrofluazide
  • Bentride
  • Benuron
  • Benzhydroflumethiazide
  • 3-Benzyl-3,4-dihydro-7-sulfamoyl-6-trifluoromethylbenzo-1,2,4-thiadiazine 1,1-dioxide
  • 3-Benzyl-3,4-dihydro-7-sulphamoyl-6-trifluoromethylbenzo-1,2,4-thiadiazine 1,1-dioxide
  • 3-Benzyl-3,4-dihydro-6-(trifluoromethyl)-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
  • Benzylhydroflumethiazide
  • Benzylrodiuran
  • 3-Benzyl-6-trifluoromethyl-7-sulfamoyl-3,4-dihydro-1,2,4-benzothiadiazine 1,1-dioxide
  • Centyl
  • Intolex
  • Nateretin
  • Naturetin
  • Naturine
  • Neonaclex
  • Pluryl
  • Plusuril
  • Repicin
  • Salures
  • Thiazidico
  • 6-Trifluoromethyl-3-benzyl-7-sulfamyl-3,4-dihydro-1,2,4-benzothiadiazine 1,1-dioxide
  • Benzidroflumetiazide
  • Bristuric
  • Bristuron
  • Flumesil
  • Niagaril
  • Pluryle
  • Poliuron
  • Relan
  • Salural
  • Sodiuretic
  • Urlea
  • Orsile
  • Livesan
  • FT 81
  • Be 724A
  • Sinesalin
  • neo-Rontyl
  • Sinesaline
  • (±)-Bendroflumethiazide
  • Racemic bendroflumethiazide
  • Rauzide
  • Benzy-rodiuran
  • Benzydroflumethiazide
  • Corzide
  • Naigaril
  • Nikion
  • Berkozide
  • Relan beta
  • Flumersil

Work with Bendroflumethiazide

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-(Trifluoromethyl)benzenesulfonamide1869-24-545 % similar Cyclopenthiazide742-20-144 % similar 4-Amino-6-(trifluoromethyl)-1,3-benzenedisulfonamide654-62-643 % similar Benzenesulfonamide, 5-(phenylsulfonyl)-N-4-piperidinyl-2-(trifluoromethyl)-915759-45-438 % similar Trichlormethiazide133-67-538 % similar 4-Bromo-3-(trifluoromethyl)benzenesulfonamide351003-64-034 % similar 2-(Trifluoromethyl)benzenemethanesulfonamide112941-35-233 % similar Hydrochlorothiazide58-93-532 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook