1.0 2016-06-03 12:24:56 UTC 2026-08-30 14:00:45 UTC N-(4-{[3-(dimethylamino)propyl]sulfamoyl}phenyl)-2-[(2-methoxy-4-nitrophenyl)diazenyl]-3-oxobutanamide SmallMolecule N-(4-{[3-(dimethylamino)propyl]sulfamoyl}phenyl)-2-[(2-methoxy-4-nitrophenyl)diazenyl]-3-oxobutanamide belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. With an average molecular weight of 520.56 g/mol, N-(4-{[3-(dimethylamino)propyl]sulfamoyl}phenyl)-2-[(2-methoxy-4-nitrophenyl)diazenyl]-3-oxobutanamide is a heavy molecule. It is characterized by the chemical formula C22H28N6O7S. This compound has been identified in or released from 19 recorded sources. Within aquatic systems and sediments, it is found in groundwater, surface water, seawater, and freshwater. It is also present in drinking water and water supply sources, including drinking water, tap water, bottled water, and desalinated water. In the sector of wastewater, sanitation, and biosolids, the compound appears in industrial wastewater, wastewater treatment effluent, mine wastewater, and unspecified wastewater. Further occurrences are recorded in appliances, HVAC, and refrigerants, specifically in water coolers and water heaters. Additionally, it is found in marine, shipping, and aquaculture environments in ballast water and bilge water, and in agriculture and land management via irrigation water, as well as two other sectors. Recorded routes of exposure for this substance include inhalation, oral ingestion, and touch. PMT C22H28N6O7S 520.56 520.17401844 N-(4-{[3-(dimethylamino)propyl]sulfamoyl}phenyl)-2-[2-(2-methoxy-4-nitrophenyl)diazen-1-yl]-3-oxobutanamide N-(4-{[3-(dimethylamino)propyl]sulfamoyl}phenyl)-2-[2-(2-methoxy-4-nitrophenyl)diazen-1-yl]-3-oxobutanamide 1065519-44-9 COC1=C(C=CC(=C1)N(=O)=O)N=NC(C(C)=O)C(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCCN(C)C InChI=1S/C22H28N6O7S/c1-15(29)21(26-25-19-11-8-17(28(31)32)14-20(19)35-4)22(30)24-16-6-9-18(10-7-16)36(33,34)23-12-5-13-27(2)3/h6-11,14,21,23H,5,12-13H2,1-4H3,(H,24,30) MQLUSMUCKZNBBC-UHFFFAOYSA-N Organic compounds Benzenoids Benzene and substituted derivatives Diphenylmethanes Diphenylmethanes Alkyl aryl ethers Anisoles Carbonyl compounds Cinnamic acid esters Enoate esters Fatty acid esters Hydrocarbon derivatives Methoxybenzenes Monocarboxylic acids and derivatives Nitriles Organic oxides Organopnictogen compounds Phenoxy compounds Alkyl aryl ether Alpha,beta-unsaturated carboxylic ester Anisole Aromatic homomonocyclic compound Carbonitrile Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cinnamic acid ester Cinnamic acid or derivatives Diphenylmethane Enoate ester Ether Fatty acid ester Fatty acyl Hydrocarbon derivative Methoxybenzene Monocarboxylic acid or derivatives Nitrile Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol ether Phenoxy compound Aromatic homomonocyclic compounds Detected and Not Quantified logp 2.7 logp 2.46 ALOGPS logs -4.42 ALOGPS solubility 2.00e-02 g/l ALOGPS logp 1.96 ChemAxon pka_strongest_acidic 10.26 ChemAxon pka_strongest_basic 9.25 ChemAxon iupac N-(4-{[3-(dimethylamino)propyl]sulfamoyl}phenyl)-2-[2-(2-methoxy-4-nitrophenyl)diazen-1-yl]-3-oxobutanamide ChemAxon average_mass 520.56 ChemAxon mono_mass 520.17401844 ChemAxon smiles COC1=C(C=CC(=C1)N(=O)=O)N=NC(C(C)=O)C(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCCN(C)C ChemAxon formula C22H28N6O7S ChemAxon inchi InChI=1S/C22H28N6O7S/c1-15(29)21(26-25-19-11-8-17(28(31)32)14-20(19)35-4)22(30)24-16-6-9-18(10-7-16)36(33,34)23-12-5-13-27(2)3/h6-11,14,21,23H,5,12-13H2,1-4H3,(H,24,30) ChemAxon inchikey MQLUSMUCKZNBBC-UHFFFAOYSA-N ChemAxon polar_surface_area 175.35 ChemAxon refractivity 136.21 ChemAxon polarizability 52.62 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 10 ChemAxon donor_count 2 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7225f40c88> 102295369 57495193