5-(2-Amino-4-chloro-5-sulfamoylphenyl)-1H-tetrazole - ≥98%(HPLC) , CAS No.82212-14-4

CAS: 82212-14-4 Cat. No.: A151137 Molecular Weight: 274.68 EC Number: 279-922-2

GRADE & PURITY ≥98%(HPLC)

Synonyms

5-(2-Amino-4-chloro-5-sulfamoylphenyl)-1H-tetrazole | EINECS 279-922-2 | 4-amino-2-chloro-5-(1H-1,2,3,4-tetrazol-5-yl)benzene-1-sulfonamide | EN300-18752189 | 4-Amino-2-chloro-5-(2H-tetrazol-5-yl)benzene-1-sulfonamide | AMY7378 | DTXSID701002561 | Benzene

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

5-(2-Amino-4-chloro-5-sulfamoylphenyl)-1H-tetrazole | EINECS 279-922-2 | 4-amino-2-chloro-5-(1H-1, 2, 3, 4-tetrazol-5-yl)benzene-1-sulfonamide | EN300-18752189 | 4-Amino-2-chloro-5-(2H-tetrazol-5-yl)benzene-1-sulfonamide | AMY7378 | DTXSID701002561 | Benzene

Specifications & Purity

≥98%(HPLC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(HPLC)

Names and Identifiers

• Canonical Smiles: C1=C(C(=CC(=C1S(=O)(=O)N)Cl)N)C2=NNN=N2
• IUPAC Name: 4-amino-2-chloro-5-(2H-tetrazol-5-yl)benzenesulfonamide
• InChIKey: OKHJHVJXPHYALI-UHFFFAOYSA-N
• INCHI: 1S/C7H7ClN6O2S/c8-4-2-5(9)3(7-11-13-14-12-7)1-6(4)17(10,15)16/h1-2H,9H2,(H2,10,15,16)(H,11,12,13,14)
• Isomeric SMILES: C1=C(C(=CC(=C1S(=O)(=O)N)Cl)N)C2=NNN=N2
• Alternate CAS: 82212-14-4
• Molecular Weight: 274.68
• Reaxy-Rn: 32525597
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=32525597&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azoles
      • Subclass Tetrazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Tetrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenyltetrazoles and derivatives
• Alternative Parents: Aminobenzenesulfonamides Benzenesulfonyl compounds Aniline and substituted anilines Chlorobenzenes Organosulfonamides Aryl chlorides Heteroaromatic compounds Aminosulfonyl compounds Azacyclic compounds Primary amines Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminobenzenesulfonamide - Phenyltetrazole - Benzenesulfonamide - Benzenesulfonyl group - Aniline or substituted anilines - Chlorobenzene - Halobenzene - Aryl chloride - Benzenoid - Aryl halide - Monocyclic benzene moiety - Organosulfonic acid amide - Heteroaromatic compound - Aminosulfonyl compound - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Amine - Organic oxygen compound - Organosulfur compound - Organic oxide - Primary amine - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenyltetrazoles and derivatives. These are compounds containing a phenyltetrazole skeleton, which consists of a tetrazole bound to a phenyl 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.

DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in Dimethylformamide
• Molecular Weight: 274.690 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 274.004 Da
• Monoisotopic Mass: 274.004 Da
• Topological Polar Surface Area: 149.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 373.000
• 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