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Substance Name: 2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3-phenyl-, 1,1-dioxide
RN: 1163-51-5
InChIKey: PQZSAKDDBHCRCN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H10-Cl-N3-O4-S2

Molecular Weight

  • 371.824
 
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Names and Synonyms

Synonym

  • 3-Phenyl chlorothiazide

Systematic Name

  • 2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3-phenyl-, 1,1-dioxide

Registry Numbers

CAS Registry Number

  • 1163-51-5

System Generated Number

  • 0001163515

Structure Descriptors

InChI

1S/C13H10ClN3O4S2/c14-9-6-10-12(7-11(9)22(15,18)19)23(20,21)17-13(16-10)8-4-2-1-3-5-8/h1-7H,(H,16,17)(H2,15,18,19)

InChIKey

PQZSAKDDBHCRCN-UHFFFAOYSA-N

Smiles

NS(=O)(=O)c1cc2c(cc1Cl)N=C(NS2(=O)=O)c3ccccc3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 100mg/kg (100mg/kg)   Indian Journal of Pharmacy. Vol. 27, Pg. 3, 1965.
mouse LD intravenous > 20mg/kg (20mg/kg)   Indian Journal of Pharmacy. Vol. 27, Pg. 3, 1965.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.4 (none)   EXP
Water Solubility 25.9 mg/L 25 EST
Vapor Pressure 4.88E-14 mm Hg 25 EST
Henry's Law Constant 3.27E-13 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.34E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.