1.0 2016-05-22 06:00:14 UTC 2026-08-18 16:54:31 UTC Sulfabromomethazine SmallMolecule Sulfabromomethazine is an organic compound with the formula C12H13BrN4O2S and an average molecular weight of 357.23 g/mol. Sulfabromomethazine belongs to the benzenesulfonamides, a subclass of benzene and substituted derivatives within the organic compounds. This compound is identified as being found in or released from one recorded source: healthcare, pharmaceuticals & veterinary products, specifically antibiotics. Recorded exposure routes for the substance include inhalation and oral administration. C12H13BrN4O2S 357.23 355.99426 4-amino-N-(5-bromo-4,6-dimethylpyrimidin-2-yl)benzene-1-sulfonamide sulfabromomethazine 116-45-0 CC1=NC(NS(=O)(=O)C2=CC=C(N)C=C2)=NC(C)=C1Br 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) KWXCNODTHBHSIQ-UHFFFAOYSA-N Organic compounds Benzenoids Benzene and substituted derivatives Benzenesulfonamides Aminobenzenesulfonamides Aminosulfonyl compounds Aniline and substituted anilines Aryl bromides Azacyclic compounds Benzenesulfonyl compounds Halopyrimidines Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Organobromides Organopnictogen compounds Organosulfonamides Primary amines Amine Aminobenzenesulfonamide Aminosulfonyl compound Aniline or substituted anilines Aromatic heteromonocyclic compound Aryl bromide Aryl halide Azacycle Benzenesulfonyl group Halopyrimidine Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic oxygen compound Organic sulfonic acid or derivatives Organobromide Organohalogen compound Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Organosulfonic acid amide Organosulfonic acid or derivatives Organosulfur compound Primary amine Pyrimidine Sulfonyl Aromatic heteromonocyclic compounds Detected and Not Quantified logp 1.42 logp 1.71 ALOGPS logs -3.53 ALOGPS solubility 1.06e-01 g/l ALOGPS logp 1.42 ChemAxon pka_strongest_acidic 6.99 ChemAxon pka_strongest_basic 1.97 ChemAxon iupac 4-amino-N-(5-bromo-4,6-dimethylpyrimidin-2-yl)benzene-1-sulfonamide ChemAxon average_mass 357.23 ChemAxon mono_mass 355.99426 ChemAxon smiles CC1=NC(NS(=O)(=O)C2=CC=C(N)C=C2)=NC(C)=C1Br ChemAxon formula C12H13BrN4O2S ChemAxon inchi 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) ChemAxon inchikey KWXCNODTHBHSIQ-UHFFFAOYSA-N ChemAxon polar_surface_area 97.97 ChemAxon refractivity 81.01 ChemAxon polarizability 31.26 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3baf3e1e20> DB11547 8310 8009