N-(4-chlorophenyl)sulfamide , CAS No.98198-68-6

CAS: 98198-68-6 Cat. No.: N669132 Formula: C₆H₇ClN₂O₂S Peso molecolare: 206.65 PubChem CID: 11321711

Synonyms

N-(4-chlorophenyl)sulfamide | N-(4-chlorophenyl)aminosulfonamide | N-(4-chlorophenyl)sulfuric diamide | 1-chloro-4-(sulfamoylamino)benzene | Sulfamide, (4-chlorophenyl)- | N-(4-chlorophenyl)sulfuricdiamide | BDBM50124155 | AKOS027394016 | SB77631 | FT-072

Storage

Room temperature

Specifications

Sinonimi

N-(4-chlorophenyl)sulfamide | N-(4-chlorophenyl)aminosulfonamide | N-(4-chlorophenyl)sulfuric diamide | 1-chloro-4-(sulfamoylamino)benzene | Sulfamide, (4-chlorophenyl)- | N-(4-chlorophenyl)sulfuricdiamide | BDBM50124155 | AKOS027394016 | SB77631 | FT-072

Condizioni di conservazione di stoccaggio

Room temperature

Proprietà del prodotto

ALogP

1.2

Nomi e identificatori

Sorrisi canonici

C1=CC(=CC=C1NS(=O)(=O)N)Cl

IUPAC Name

1-chloro-4-(sulfamoylamino)benzene

InChIKey

QLWNTSQSPPLWEQ-UHFFFAOYSA-N

INCHI

1S/C6H7ClN2O2S/c7-5-1-3-6(4-2-5)9-12(8,10)11/h1-4,9H,(H2,8,10,11)

Isomeri SMILES

C1=CC(=CC=C1NS(=O)(=O)N)Cl

PubChem CID

11321711

Peso molecolare

206.65

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Sulfanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Sulfanilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfanilides
• Alternative Parents: Chlorobenzenes Sulfuric acid diamides Aryl chlorides Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Sulfanilide - Halobenzene - Chlorobenzene - Sulfuric acid diamide - Aryl halide - Aryl chloride - Organic sulfuric acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as sulfanilides. These are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1.
• 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

Obiettivi associati (umani)

CA1 Tclin Carbonic anhydrase 1 (1 Activities)

Discover Target: CA1

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

CA2 Tclin Carbonic anhydrase 2 (1 Activities)

Discover Target: CA2

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

CA2 Tclin Carbonic anhydrase II (17698 Activities)

Discover Target: CA2

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 206.650 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 205.992 Da
• Monoisotopic Mass: 205.992 Da
• Topological Polar Surface Area: 80.600 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 228.000
• 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

Domande frequenti

How should this product be stored?

Store at room temperature.

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

The CAS Number is 98198-68-6, the molecular formula is C6H7ClN2O2S, and the molecular weight is 206.65 g/mol. InChIKey QLWNTSQSPPLWEQ-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.