2-carboxy phenylsulfamide - CAS 632-24-6
Catalog: |
BB032060 |
Product Name: |
2-carboxy phenylsulfamide |
CAS: |
632-24-6 |
Synonyms: |
2-sulfamoylbenzoic acid |
IUPAC Name: | 2-sulfamoylbenzoic acid |
Description: | 2-(Aminosulfonyl)benzoic Acid can be used as reactant/reagent in synthesis and pharmacological activity of γ-(phenyloxamido)- and γ-(phenylsulfonyloxamido)butanoic acids. |
Molecular Weight: | 201.20 |
Molecular Formula: | C7H7NO4S |
Canonical SMILES: | C1=CC=C(C(=C1)C(=O)O)S(=O)(=O)N |
InChI: | InChI=1S/C7H7NO4S/c8-13(11,12)6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)(H2,8,11,12) |
InChI Key: | KDNIOKSLVIGAAN-UHFFFAOYSA-N |
Boiling Point: | 454.8 °C at 760 mmHg |
Density: | 1.536 g/cm3 |
MDL: | MFCD00127704 |
LogP: | 1.81330 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2021155583-A1 | Affinity illudofulvene conjugates | 20191125 |
WO-2020069353-A1 | Compounds and compositions for ocular delivery | 20180927 |
EP-3498297-A1 | Pharmaceutical composition for the treatment of autism | 20171106 |
US-2019134011-A1 | Pharmaceutical composition for the treatment of autism | 20171106 |
US-10940140-B2 | Pharmaceutical composition for the treatment of autism | 20171106 |
PMID | Publication Date | Title | Journal |
21583576 | 20090718 | 2-Methyl-4-oxopentan-2-aminium 2-sulfamoylbenzoate | Acta crystallographica. Section E, Structure reports online |
21582122 | 20090204 | Methyl 2-(N-methoxy-carbonyl-meth-yl-N-methylsulfamo-yl)benzoate | Acta crystallographica. Section E, Structure reports online |
21201036 | 20080920 | Tetra-aquabis-(2-sulfamoylbenzoato)manganese(II) | Acta crystallographica. Section E, Structure reports online |
18491861 | 20080619 | A useful Pd-catalyzed Negishi coupling approach to benzylic sulfonamide derivatives | Organic letters |
15845211 | 20050401 | The role of Na-K-Cl co-transporter in cerebral ischemia | Neurological research |
Complexity: | 292 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 201.00957888 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 201.00957888 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 106 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.4 |
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