Sulfazamet - ≥98 atom% 13C,≥95% , CAS No.852-19-7

CAS: 852-19-7 Cat. No.: S1055152 EC 번호: 212-707-3 PubChem CID: 13326

GRADE & PURITY ≥98 atom% 13C,≥95%

Storage

Room temperature

Specifications

사양 및 순도

≥98 atom% 13C,≥95%

보관 조건

Room temperature

순수함

≥98 atom% 13C,≥95%

이름과 식별자

• 정식 스마일: CC1=NN(C(=C1)NS(=O)(=O)C2=CC=C(C=C2)N)C3=CC=CC=C3
• IUPAC Name: 4-amino-N-(5-methyl-2-phenylpyrazol-3-yl)benzenesulfonamide
• InChIKey: MTERSQYMYBGZTP-UHFFFAOYSA-N
• INCHI: 1S/C16H16N4O2S/c1-12-11-16(20(18-12)14-5-3-2-4-6-14)19-23(21,22)15-9-7-13(17)8-10-15/h2-11,19H,17H2,1H3
• 이성체 SMILES: CC1=NN(C(=C1)NS(=O)(=O)C2=CC=C(C=C2)N)C3=CC=CC=C3
• 대체 CAS: 852-19-7
• PubChem CID: 13326
• MeSH 용어: 1-phenyl-3-methyl-5-sulfanilamidopyrazole;sulfamethylphenazole

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Azoles
      • Subclass Pyrazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Azoles
• Subclass: Pyrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrazoles
• Alternative Parents: Aminobenzenesulfonamides Benzenesulfonyl compounds Aniline and substituted anilines Organosulfonamides Heteroaromatic compounds Aminosulfonyl compounds Azacyclic compounds Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminobenzenesulfonamide - Phenylpyrazole - Benzenesulfonamide - Benzenesulfonyl group - Aniline or substituted anilines - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Heteroaromatic compound - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Azacycle - Amine - Hydrocarbon derivative - Primary amine - Organic oxide - Organosulfur compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole 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

화학 및 물리적 특성

• 분자량: 328.400 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 328.099 Da
• Monoisotopic Mass: 328.099 Da
• Topological Polar Surface Area: 98.400 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 479.000
• 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

참고 문헌

1. Huiting Feng, Yuxin Yang, Ruiling Li, Yuting Yang, Zongwen Wang, FengFu Fu, Yue Lin.  (2026)  Employment of mixed aptamers and gold nanobipyramids toward a paper-based aptasensor for simultaneously visual screening and accurate detection of eight sulfonamides.  SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,      [PMID:] [10.1016/j.saa.2026.127574]