Sodium 3-Formylbenzenesulfonate - CAS 5330-48-3

Catalog:	BB028125
Product Name:	Sodium 3-Formylbenzenesulfonate
CAS:	5330-48-3
Synonyms:	sodium;3-formylbenzenesulfonate; sodium;3-formylbenzenesulfonate

Technical Data

Patents

Computed Properties

IUPAC Name:	sodium;3-formylbenzenesulfonate
Description:	3-Sulfobenzaldehyde Sodium Salt, can be used for the preparation of a series of novel sulfonamide derivatives, as inhibitors of the enzyme histone deacetylase (HDAC) as a novel approach to the treatment of cancer.
Molecular Weight:	208.17
Molecular Formula:	C7H5O4SNa
Canonical SMILES:	C1=CC(=CC(=C1)S(=O)(=O)[O-])C=O.[Na+]
InChI:	InChI=1S/C7H6O4S.Na/c8-5-6-2-1-3-7(4-6)12(9,10)11;/h1-5H,(H,9,10,11);/q;+1/p-1
InChI Key:	AFIUOLGCFDPAKN-UHFFFAOYSA-M
Density:	1.503 g/cm³
LogP:	1.82660

Publication Number	Title	Priority Date
AU-2017304887-A1	Polymorphic forms of belinostat and processes for preparation thereof	20160726
EP-3490973-A1	Polymorphic forms of belinostat and processes for preparation thereof	20160726
JP-2019523273-A	Verinostat polymorphic forms and process for their preparation	20160726
KR-20190035680-A	Polymorphism of binalinostet and its production method	20160726
US-2019241511-A1	Polymorphic forms of belinostat and processes for preparation thereof	20160726

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Related Functional Groups

Carbonyl Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[17746-05-3]
Undecanoyl chloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride

Complexity:	256
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	207.98062409
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	207.98062409
Rotatable Bond Count:	2
Topological Polar Surface Area:	82.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0