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Substance Name: 3-Pyridinamine, 6-((4-aminophenyl)sulfonyl)-
RN: 5401-26-3
InChIKey: XVMSFILGAMDHEY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H11-N3-O2-S

Molecular Weight

  • 249.293
 
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Names and Synonyms

Synonyms

  • 4-22-00-05597 (Beilstein Handbook Reference)
  • 5-Aminopyridyl-4'-aminophenylsulfone
  • 6-((4-Aminophenyl)sulfonyl)-3-pyridinamine
  • BRN 0195792
  • NSC 3619
  • Pyridinin
  • Pyridinine

Systematic Name

  • 3-Pyridinamine, 6-((4-aminophenyl)sulfonyl)-

Registry Numbers

CAS Registry Number

  • 5401-26-3

System Generated Number

  • 0005401263

Structure Descriptors

InChI

1S/C11H11N3O2S/c12-8-1-4-10(5-2-8)17(15,16)11-6-3-9(13)7-14-11/h1-7H,12-13H2

InChIKey

XVMSFILGAMDHEY-UHFFFAOYSA-N

Smiles

O=S(=O)(c1ncc(cc1)N)c1ccc(cc1)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2100mg/kg (2100mg/kg)   Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 48, Pg. 336, 1952.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -0.420 (none)   EST
Water Solubility 1230 mg/L 37 EXP
Atmospheric OH Rate Constant 2.74E-11 cm3/molecule-sec 25 EST

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