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1-(benzenesulfonyl)-1H-pyrrolo[2,3-b]pyridine-2-carbaldehyde - 97%, high purity , CAS No.189089-91-6
Discover 1-(benzenesulfonyl)-1H-pyrrolo[2,3-b]pyridine-2-carbaldehyde by Aladdin Scientific in 97% for only $271.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
189089-91-6 | 1-(Phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine-2-carbaldehyde | 1-(Benzenesulfonyl)-1H-pyrrolo[2,3-b]pyridine-2-carbaldehyde | 1-Phenylsulfonyl-7-azaindole-2-carboxyaldehyde | 1-(BENZENESULFONYL)PYRROLO[2,3-B]PYRIDINE-2-CARBALDEHYDE | MFCD15529564 | 1H-PY
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzenesulfonamides
Intermediate Tree Nodes
Not available
Direct Parent
Benzenesulfonamides
Alternative Parents
Pyrrolopyridines Benzenesulfonyl compounds Aryl-aldehydes Substituted pyrroles Pyridines and derivatives Sulfonyls Organosulfonic acids and derivatives Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzenesulfonamide - Pyrrolopyridine - Benzenesulfonyl group - Aryl-aldehyde - Pyridine - Substituted pyrrole - Pyrrole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Heteroaromatic compound - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organic oxide - Aldehyde - Organic oxygen compound - Organosulfur compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
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.
Names and Identifiers
IUPAC Name
1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine-2-carbaldehyde
INCHI
InChI=1S/C14H10N2O3S/c17-10-12-9-11-5-4-8-15-14(11)16(12)20(18,19)13-6-2-1-3-7-13/h1-10H
InChIKey
GKAPUAJWUZIFEM-UHFFFAOYSA-N
Smiles
C1=CC=C(C=C1)S(=O)(=O)N2C(=CC3=C2N=CC=C3)C=O
Isomeric SMILES
C1=CC=C(C=C1)S(=O)(=O)N2C(=CC3=C2N=CC=C3)C=O
Molecular Weight
286.31
Reaxy-Rn
7645060
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7645060&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
286.310 g/mol
XLogP3
2.300
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
3
Exact Mass
286.041 Da
Monoisotopic Mass
286.041 Da
Topological Polar Surface Area
77.400 Ų
Heavy Atom Count
20
Formal Charge
0
Complexity
454.000
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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