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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 Mass:
297.75 g/mol
Names and Synonyms:
Hydrochlorothiazide
Hidril
2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-, 1,1-dioxide
Su 5879
Aquarius
6-Chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
6-Chloro-3,4-dihydro-7-sulfamoyl-2H-1,2,4-benzothiadiazine 1,1-dioxide
6-Chloro-7-sulfamoyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide
Chlorosulthiadil
Dichlotride
Diclotride
Dihydrochlorothiazide
3,4-Dihydrochlorothiazide
Esidrex
Esidrix
HCTZ
HCZ
Hydril
Hydrochlorothiazide
Hydro-Diuril
Hydrosaluric
Hypothiazid
Hypothiazide
Oretic
Vetidrex
Hypothiazide (C7H8ClN3O4S2)
Nefrix
Hydrochlorthiazide
6-Chloro-7-sulfamoyl-3,4-dihydrobenzo-1,2,4-thiadiazine-1,1-dioxide
Hydrochlorothiazid
Dihydrochlorothiazidum
Dichlotiazid
Disalunil
Hidrochlortiazid
Idrotiazide
Drenol
Megadiuril
Hydro-Aquil
Hidrotiazida
Hydrodiuretic
Dihydrochlorurite
Dihydrochlorurit
Microzide
Hidrenox
Nefrol
Neoflumen
Dichlozid
Diuret-P
Newtolide
Hidrosaluretil
Apo-Hydro
Natrimax
Dichlothiazide
Servithiazid
Urirex
Tandiur
Hydro-T
Hydrex-semi
HCT
Didralin
Hydro Par
Carozide
Idrodiuvis
Hydrozide
Hydrochlorzide
Manschitt
Zide
Hydrocot
Diurizid
Aquazide H
Clothia
Maschitt
Disothiazide
Diurex
Hydrex
Pantemon
Chlorsulthiadil
Acuretic
Ziac
Lotensin HCT
Caplaril
HH 25/25
Thiuretic
Unipres
HH 50/50
Timolide
Lopressor HCT
Apresazide
NSC 53477
Aquazide
Clorana
Trilopace H
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)
Key Properties
Melting Point
273-275 °C
CAS Common Chemistry
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 297.75 g/mol | CAS Common Chemistry |
| 297.74500000000006 g/mol | RDKit | |
| 296.9644754159999 g/mol | RDKit | |
| Canonical SMILES | O=S(=O)(N)C=1C=C2C(=CC1Cl)NCNS2(=O)=O | CAS Common Chemistry |
| 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) | CAS Common Chemistry |
| InChI Key | InChIKey=JZUFKLXOESDKRF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 273-275 °C | CAS Common Chemistry |
| Name | Hydrochlorothiazide | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 118.35999999999999 Ų | RDKit |
| LogP | -0.35129999999999967 | RDKit |
| Molar Refractivity | 61.63640000000001 | RDKit |
