Methyl 2-(aminosulfonyl)benzoate - CAS 57683-71-3
Catalog: |
BB029787 |
Product Name: |
Methyl 2-(aminosulfonyl)benzoate |
CAS: |
57683-71-3 |
Synonyms: |
methyl 2-sulfamoylbenzoate |
IUPAC Name: | methyl 2-sulfamoylbenzoate |
Description: | Methyl 2-(aminosulfonyl)benzoate (CAS# 57683-71-3) is a building block used in various synthetic preparations. It is also classified as a pollutant found in a municipal wastewater treatment plant. |
Molecular Weight: | 215.23 |
Molecular Formula: | C8H9NO4S |
Canonical SMILES: | COC(=O)C1=CC=CC=C1S(=O)(=O)N |
InChI: | InChI=1S/C8H9NO4S/c1-13-8(10)6-4-2-3-5-7(6)14(9,11)12/h2-5H,1H3,(H2,9,11,12) |
InChI Key: | VSOOBQALJVLTBH-UHFFFAOYSA-N |
Boiling Point: | 401.4 °C at 760 mmHg |
Purity: | 99 % |
Density: | 1.377 g/cm3 |
Appearance: | Dry powder |
MDL: | MFCD00009808 |
LogP: | 1.90170 |
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 |
EP-3896521-A1 | Polymer, photosensitive resin composition, patterning method, method of forming cured film, interlayer insulating film, surface protective film, and electronic component | 20200414 |
US-2021317268-A1 | Polymer, photosensitive resin composition, patterning method, method of forming cured film, interlayer insulating film, surface protective film, and electronic component | 20200414 |
WO-2020216701-A1 | Acyl sulfonamides for treating cancer | 20190425 |
TW-202106670-A | Acyl sulfonamides for treating cancer | 20190425 |
WO-2020102100-A1 | Compounds and compositions for treating conditions associated with nlrp activity | 20181113 |
PMID | Publication Date | Title | Journal |
18571428 | 20080801 | Hydrolytic and photoinduced degradation of tribenuron methyl studied by HPLC-DAD-MS/MS | Journal of the American Society for Mass Spectrometry |
15686888 | 20050215 | QSAR studies on benzene sulfonamide carbonic anhydrase inhibitors: need of hydrophobic parameter for topological modeling of binding constants of sulfonamides to human CA-II | Bioorganic & medicinal chemistry letters |
15482952 | 20041115 | Carbonic anhydrase inhibitors: inhibition of human cytosolic isozyme II and mitochondrial isozyme V with a series of benzene sulfonamide derivatives | Bioorganic & medicinal chemistry letters |
14993947 | 20040301 | Kinetics and mechanism of the degradation of the pesticide metsulfuron methyl induced by excitation of iron(III) aqua complexes in aqueous solutions: steady state and transient absorption spectroscopy studies | Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology |
11990367 | 20020301 | Light-induced transformation of tribenuron-methyl on glass, soil, and plant surface | Journal of environmental science and health. Part. B, Pesticides, food contaminants, and agricultural wastes |
Complexity: | 306 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 215.02522894 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 215.02522894 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 94.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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