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Substance Name: Sulfabromomethazine
RN: 116-45-0
UNII: PQK2N461KJ
InChIKey: KWXCNODTHBHSIQ-UHFFFAOYSA-N

Molecular Formula

  • C12-H13-Br-N4-O2-S

Molecular Weight

  • 357.2307
 
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Names and Synonyms

Name of Substance

  • Sulfabromomethazine

Synonyms

  • 5-Bromosulfamethazine
  • Bromosulfamethazine
  • EINECS 204-142-6
  • NSC 5874
  • S. N. 3517
  • Sulfabrom
  • Sulfabromomethazine
  • UNII-PQK2N461KJ

Systematic Names

  • 4-Amino-N-(5-bromo-4,6-dimethyl-2-pyrimidinyl)benzenesulphonamide
  • Benzenesulfonamide, 4-amino-N-(5-bromo-4,6-dimethyl-2-pyrimidinyl)- (9CI)
  • Sulfanilamide, N1-(5-bromo-4,6-dimethyl-2-pyrimidinyl)- (8CI)

Registry Numbers

CAS Registry Number

  • 116-45-0

FDA UNII

  • PQK2N461KJ

System Generated Number

  • 0000116450

Structure Descriptors

InChI

1S/C12H13BrN4O2S/c1-7-11(13)8(2)16-12(15-7)17-20(18,19)10-5-3-9(14)4-6-10/h3-6H,14H2,1-2H3,(H,15,16,17)

InChIKey

KWXCNODTHBHSIQ-UHFFFAOYSA-N

Smiles

Cc1c(c(nc(n1)NS(=O)(=O)c2ccc(cc2)N)C)Br

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.650 (none)   EST
Atmospheric OH Rate Constant 3.31E-11 cm3/molecule-sec 25 EST

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