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Hydrochlorothiazide

CAS: 58-93-5 | C7H8ClN3O4S2

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number: 58-93-5
Molecular Formula: C7H8ClN3O4S2
Molecular Weight: 297.74500000000006 g/mol

Names and Synonyms:

Hydrochlorothiazide
Nefrix
Trilopace H
Clorana
Aquazide
NSC 53477
Apresazide
Lopressor HCT
Timolide
HH 50/50
Unipres
Thiuretic
HH 25/25
Caplaril
Lotensin HCT
Ziac
Acuretic
Chlorsulthiadil
Pantemon
Hydrex
Diurex
Disothiazide
Maschitt
Clothia
Aquazide H
Diurizid
Hydrocot
Zide
Manschitt
Hydrochlorzide
Hydrozide
Idrodiuvis
Carozide
Hydro Par
Didralin
HCT
Hydrex-semi
Hydro-T
Tandiur
Urirex
Servithiazid
Dichlothiazide
Natrimax
Apo-Hydro
Hidrosaluretil
Newtolide
Diuret-P
Dichlozid
Neoflumen
Nefrol
Hidrenox
Microzide
Dihydrochlorurit
Dihydrochlorurite
Hydrodiuretic
Hidrotiazida
Hydro-Aquil
Megadiuril
Drenol
Idrotiazide
Hidrochlortiazid
Disalunil
Dichlotiazid
Dihydrochlorothiazidum
Hydrochlorothiazid
6-Chloro-7-sulfamoyl-3,4-dihydrobenzo-1,2,4-thiadiazine-1,1-dioxide
Hydrochlorthiazide
Hypothiazide (C7H8ClN3O4S2)
Vetidrex
Oretic
Hypothiazide
Hypothiazid
Hydrosaluric
Hydro-Diuril
Hydrochlorothiazide
Hydril
HCZ
HCTZ
Esidrix
Esidrex
3,4-Dihydrochlorothiazide
Dihydrochlorothiazide
Diclotride
Dichlotride
Chlorosulthiadil
6-Chloro-7-sulfamoyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide
6-Chloro-3,4-dihydro-7-sulfamoyl-2H-1,2,4-benzothiadiazine 1,1-dioxide
6-Chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
Aquarius
Su 5879
2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-, 1,1-dioxide
Hidril

Identifiers:

SMILES:
NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O
InChI:
InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)

Spectral Data

NMR, IR, and Mass spectral data

1H NMR
13C NMR
Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment
200 ppm 180 160 140 120 100 80 60 40 20 0 ppm
Shift (ppm) DEPT Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

External Resources

All Properties

Comprehensive physical and chemical properties

Physical Properties

Property Value Source
molecular_mass 297.75 g/mol Legacy Database
cas-canonical-smile O=S(=O)(N)C=1C=C2C(=CC1Cl)NCNS2(=O)=O None Legacy Database
cas-inchi InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13) None Legacy Database
cas-inchi-key InChIKey=JZUFKLXOESDKRF-UHFFFAOYSA-N None Legacy Database
cas-melting-point 273-275 °C None Legacy Database
cas-name Hydrochlorothiazide None Legacy Database
LogP -0.35129999999999967 RDKit

Molecular

Property Value Source
Molecular Weight 297.74500000000006 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 296.9644754159999 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 17 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 5 count RDKit
Hydrogen Bond Donors 3 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 1 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 1 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 118.35999999999999 Ų RDKit

Molar

Property Value Source
Molar Refractivity 61.63640000000001 RDKit

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