4-Hydroxy-3-nitrobenzenesulfonamide , CAS No.24855-58-1

CAS: 24855-58-1 Cat. No.: H667992 Formule: C₆H₆N₂O₅S Poids moléculaire: 218.19 Numéro CE: 246-499-0 PubChem CID: 90631

Synonyms

4-Hydroxy-3-nitrobenzenesulfonamide | Benzenesulfonamide, 4-hydroxy-3-nitro- | 4-Hydroxy-3-nitrobenzenesulphonamide | 4-hydroxy-3-nitrobenzene-1-sulfonamide | 2-Nitro-4-sulfamide phenol | EINECS 246-499-0 | DTXSID8067028 | BDBM50466767 | GS1124 | MFCD0012

Storage

Room temperature

Spécifications

Synonymes

4-Hydroxy-3-nitrobenzenesulfonamide | Benzenesulfonamide, 4-hydroxy-3-nitro- | 4-Hydroxy-3-nitrobenzenesulphonamide | 4-hydroxy-3-nitrobenzene-1-sulfonamide | 2-Nitro-4-sulfamide phenol | EINECS 246-499-0 | DTXSID8067028 | BDBM50466767 | GS1124 | MFCD0012

Conditions de stockage de stockage

Room temperature

Propriétés du produit

ALogP

0.4

Noms et identifiants

Sourires canoniques

C1=CC(=C(C=C1S(=O)(=O)N)[N+](=O)[O-])O

IUPAC Name

4-hydroxy-3-nitrobenzenesulfonamide

InChIKey

SXSOYEBKXCZKDH-UHFFFAOYSA-N

INCHI

1S/C6H6N2O5S/c7-14(12,13)4-1-2-6(9)5(3-4)8(10)11/h1-3,9H,(H2,7,12,13)

Isomères SMILES

C1=CC(=C(C=C1S(=O)(=O)N)[N+](=O)[O-])O

PubChem CID

90631

Poids moléculaire

218.19

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenols
      • Subclass Nitrophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenols
• Subclass: Nitrophenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrophenols
• Alternative Parents: Benzenesulfonamides Nitrobenzenes Benzenesulfonyl compounds Nitroaromatic compounds 1-hydroxy-2-unsubstituted benzenoids Organosulfonamides Aminosulfonyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonamide - Nitrophenol - Nitrobenzene - Benzenesulfonyl group - Nitroaromatic compound - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - C-nitro compound - Organic nitro compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as nitrophenols. These are compounds containing a nitrophenol moiety, which consists of a benzene ring bearing both a hydroxyl group and a nitro group on two different ring carbon atoms.
• 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

Cibles associées (humaines)

CA1 Tclin Carbonic anhydrase 1 (1 Activities)

Discover Target: CA1

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CA2 Tclin Carbonic anhydrase 2 (1 Activities)

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Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CA12 Tclin Carbonic anhydrase 12 (1 Activities)

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Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CA9 Tclin Carbonic anhydrase 9 (1 Activities)

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Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CA2 Tclin Carbonic anhydrase II (17698 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CA1 Tclin Carbonic anhydrase I (13240 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CA12 Tclin Carbonic anhydrase XII (6231 Activities)

Discover Target: CA12

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 218.190 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 218 Da
• Monoisotopic Mass: 218 Da
• Topological Polar Surface Area: 135.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 316.000
• 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

Foire aux questions

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 24855-58-1, the molecular formula is C6H6N2O5S, and the molecular weight is 218.19 g/mol. InChIKey SXSOYEBKXCZKDH-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.