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Methyl 3-amino-4-(phenylsulfonyl)thiophene-2-carboxylate - 90%, high purity , CAS No.175201-55-5
Basic Description
Synonyms
175201-55-5 | methyl 3-amino-4-(phenylsulfonyl)thiophene-2-carboxylate | methyl 3-amino-4-(benzenesulfonyl)thiophene-2-carboxylate | methyl 3-amino-4-(phenylsulfonyl)-2-thiophenecarboxylate | Methyl 3-amino-4-(phenylsulphonyl)thiophene-2-carboxylate | Maybridge1_00
Specifications & Purity
≥90%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzenesulfonyl compounds
Intermediate Tree Nodes
Not available
Direct Parent
Benzenesulfonyl compounds
Alternative Parents
Thiophene carboxylic acids and derivatives Aminothiophenes Vinylogous amides Sulfones Methyl esters Heteroaromatic compounds Amino acids and derivatives Monocarboxylic acids and derivatives Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzenesulfonyl group - Thiophene carboxylic acid or derivatives - Aminothiophene - Sulfone - Sulfonyl - Thiophene - Methyl ester - Vinylogous amide - Heteroaromatic compound - Amino acid or derivatives - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Amine - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzenesulfonyl compounds. These are aromatic compounds containing a benzenesulfonyl group, which consists of a monocyclic benzene moiety that carries a sulfonyl group.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
methyl 3-amino-4-(benzenesulfonyl)thiophene-2-carboxylate
INCHI
InChI=1S/C12H11NO4S2/c1-17-12(14)11-10(13)9(7-18-11)19(15,16)8-5-3-2-4-6-8/h2-7H,13H2,1H3
InChIKey
RMDFXHNYCGZJPT-UHFFFAOYSA-N
Smiles
COC(=O)C1=C(C(=CS1)S(=O)(=O)C2=CC=CC=C2)N
Isomeric SMILES
COC(=O)C1=C(C(=CS1)S(=O)(=O)C2=CC=CC=C2)N
Molecular Weight
297.4
Reaxy-Rn
8322755
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8322755&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
297.400 g/mol
XLogP3
2.500
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
4
Exact Mass
297.013 Da
Monoisotopic Mass
297.013 Da
Topological Polar Surface Area
123.000 Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
426.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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