Benzenesulfonic acid, 5-[[4-(aminosulfonyl)-2-nitrophenyl]amino]-2-(phenylamino)- (CHEM074741)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-04-04 13:07:56 UTC | ||||||||
| Update Date | 2026-08-29 07:08:18 UTC | ||||||||
| Accession Number | CHEM074741 | ||||||||
| Identification | |||||||||
| Common Name | Benzenesulfonic acid, 5-[[4-(aminosulfonyl)-2-nitrophenyl]amino]-2-(phenylamino)- | ||||||||
| Class | Small Molecule | ||||||||
| Description | Benzenesulfonic acid, 5-[[4-(aminosulfonyl)-2-nitrophenyl]amino]-2-(phenylamino)- belongs to the benzenesulfonamides, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid has the chemical formula C18H16N4O7S2 and an average molecular weight of 464.47 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C18H16N4O7S2 | ||||||||
| Average Molecular Mass | 464.470 g/mol | ||||||||
| Monoisotopic Mass | 464.046 g/mol | ||||||||
| CAS Registry Number | 72829-30-2 | ||||||||
| IUPAC Name | 2-anilino-5-(2-nitro-4-sulfamoylanilino)benzenesulfonic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | NS(=O)(=O)C1=CC(=C(NC2=CC(=C(NC3=CC=CC=C3)C=C2)S(O)(=O)=O)C=C1)[N+]([O-])=O | ||||||||
| InChI Identifier | InChI=1S/C18H16N4O7S2/c19-30(25,26)14-7-9-15(17(11-14)22(23)24)21-13-6-8-16(18(10-13)31(27,28)29)20-12-4-2-1-3-5-12/h1-11,20-21H,(H2,19,25,26)(H,27,28,29) | ||||||||
| InChI Key | DTPZBFSWSXHTAX-UHFFFAOYSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
| ||||||||
| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
| ||||||||
| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
| Not Available | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
