N-pyrrolo[1,2-a]quinolin-6-yl-2-thiophenesulfonamide - ≥90% , CAS No.865659-19-4

CAS: 865659-19-4 Cat. No.: N973800 Molecular Weight: 328.41 PubChem CID: 1474735

GRADE & PURITY ≥90%

Storage

Room temperature

Specifications

Specifications & Purity

≥90%

Storage

Room temperature

Purity

≥90%

Names and Identifiers

• Canonical Smiles: C1=CC(=C2C=CC3=CC=CN3C2=C1)NS(=O)(=O)C4=CC=CS4
• IUPAC Name: N-pyrrolo[1,2-a]quinolin-6-ylthiophene-2-sulfonamide
• InChIKey: BPTPNBWSOKFDTN-UHFFFAOYSA-N
• INCHI: 1S/C16H12N2O2S2/c19-22(20,16-7-3-11-21-16)17-14-5-1-6-15-13(14)9-8-12-4-2-10-18(12)15/h1-11,17H
• Isomeric SMILES: C1=CC(=C2C=CC3=CC=CN3C2=C1)NS(=O)(=O)C4=CC=CS4
• PubChem CID: 1474735
• Molecular Weight: 328.41

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Quinolines and derivatives
      • Subclass Pyrroloquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Pyrroloquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrroloquinolines
• Alternative Parents: Sulfanilides Indolizines Pyridines and derivatives Organosulfonamides Thiophenes Pyrroles Heteroaromatic compounds Aminosulfonyl compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrroloquinoline - Sulfanilide - Indolizine - Pyrrolopyridine - Pyridine - Organosulfonic acid amide - Benzenoid - Pyrrole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Heteroaromatic compound - Sulfonyl - Thiophene - Aminosulfonyl compound - Azacycle - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organosulfur compound - Organic oxygen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrroloquinolines. These are compounds containing a pyrroloquinoline moiety, which consists of a pyrrole ring fused to a quinoline.
• 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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 328.400 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 328.034 Da
• Monoisotopic Mass: 328.034 Da
• Topological Polar Surface Area: 87.200 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 505.000
• 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