4-Aminobenzenesulfonamide Hydrochloride - CAS 6101-31-1
Catalog: |
BB030896 |
Product Name: |
4-Aminobenzenesulfonamide Hydrochloride |
CAS: |
6101-31-1 |
Synonyms: |
4-aminobenzenesulfonamide;hydrochloride; 4-aminobenzenesulfonamide;hydrochloride |
IUPAC Name: | 4-aminobenzenesulfonamide;hydrochloride |
Description: | The active labelled metabolite of the antibacterial dye, Sulfamidochrysoidine. Inhibits folic acid synthesis in prokaryotes. Antibacterial. |
Molecular Weight: | 208.67 |
Molecular Formula: | C6H9ClN2O2S |
Canonical SMILES: | C1=CC(=CC=C1N)S(=O)(=O)N.Cl |
InChI: | InChI=1S/C6H8N2O2S.ClH/c7-5-1-3-6(4-2-5)11(8,9)10;/h1-4H,7H2,(H2,8,9,10);1H |
InChI Key: | XZMIAZCXISFPEJ-UHFFFAOYSA-N |
Boiling Point: | 400.5 °C at 760 mmHg |
LogP: | 3.08050 |
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PMID | Publication Date | Title | Journal |
22867030 | 20121001 | Computational approach for fast screening of small molecular candidates to inhibit crystallization in amorphous drugs | Molecular pharmaceutics |
22808954 | 20120719 | Two centuries of assessing drug risks | The New England journal of medicine |
22480159 | 20120501 | Control of the coordination status of the open metal sites in metal-organic frameworks for high performance separation of polar compounds | Langmuir : the ACS journal of surfaces and colloids |
22342371 | 20120401 | Covalent binding of nitroso-sulfonamides to glutathione S-transferase in guinea pigs with delayed type hypersensitivity | International immunopharmacology |
22434710 | 20120401 | Increasing throughput of surface plasmon resonance-based biosensors by multiple analyte injections | Journal of molecular recognition : JMR |
Complexity: | 211 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 208.0073264 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 208.0073264 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 94.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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Amines and Anilines
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