Sulfanitran
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Basic Info
| Common Name | Sulfanitran(F06144) |
| 2D Structure | |
| FRCD ID | F06144 |
| CAS Number | 122-16-7 |
| PubChem CID | 5334 |
| Formula | C14H13N3O5S |
| IUPAC Name | N-[4-[(4-nitrophenyl)sulfamoyl]phenyl]acetamide |
| InChI Key | GWBPFRGXNGPPMF-UHFFFAOYSA-N |
| InChI | InChI=1S/C14H13N3O5S/c1-10(18)15-11-4-8-14(9-5-11)23(21,22)16-12-2-6-13(7-3-12)17(19)20/h2-9,16H,1H3,(H,15,18) |
| Canonical SMILES | CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)[N+](=O)[O-] |
| Isomeric SMILES | CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)[N+](=O)[O-] |
| Synonyms |
component of Novastat
sulfanitran
122-16-7
APNPS
UNII-QT35T5T35Q
component of Polystat
NSC 77120
NSC 217299
N(sup4)-Acetyl-4'-nitrosulfanilanilide
4'-((p-Nitrophenyl)sulfamoyl)acetanilide
|
| Classifies |
Predicted: Pesticide
|
| Update Date | Nov 13, 2018 17:07 |
Chemical Taxonomy
| Kingdom | Organic compounds |
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Sulfanilides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Sulfanilides |
| Alternative Parents |
|
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzenesulfonamide - Sulfanilide - Benzenesulfonyl group - Nitrobenzene - Nitroaromatic compound - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboximidic acid derivative - Carboximidic acid - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as sulfanilides. These are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1. |
Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 335.334 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Complexity | 524 |
| Monoisotopic Mass | 335.058 |
| Exact Mass | 335.058 |
| XLogP | 2 |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 1 |
MRLs
| Food | Product Code | Country | MRLs | Application Date | Notes |
|---|---|---|---|---|---|
| Other Poultry Animals,Kidney | Japan | 0.1ppm | |||
| Chicken,Kidney | Japan | 0.1ppm | |||
| Other Poultry Animals,Liver | Japan | 0.1ppm | |||
| Chicken,Edible Offal | Japan | 0.1ppm | |||
| Other Poultry,Eggs | Japan | 0.02ppm | |||
| Chicken,Eggs | Japan | 0.02ppm | |||
| Other Poultry Animals,Edible Offal | Japan | 0.1ppm | |||
| Chicken,Fat | Japan | 0.1ppm | |||
| Other Poultry Animals,Muscle | Japan | 0.1ppm | |||
| Chicken,Muscle | Japan | 0.1ppm | |||
| Chicken,Liver | Japan | 0.1ppm | |||
| Other Poultry Animals,Fat | Japan | 0.1ppm |