2-(Methylsulfonamido)benzaldehyde - CAS 94532-99-7

Catalog:	BB041410
Product Name:	2-(Methylsulfonamido)benzaldehyde
CAS:	94532-99-7
Synonyms:	N-(2-formylphenyl)methanesulfonamide; N-(2-formylphenyl)methanesulfonamide

Technical Data

Patents

Literatures

Computed Properties

IUPAC Name:	N-(2-formylphenyl)methanesulfonamide
Description:	2-(Methylsulfonamido)benzaldehyde (CAS# 94532-99-7) is a useful research chemical.
Molecular Weight:	199.23
Molecular Formula:	C8H9NO3S
Canonical SMILES:	CS(=O)(=O)NC1=CC=CC=C1C=O
InChI:	InChI=1S/C8H9NO3S/c1-13(11,12)9-8-5-3-2-4-7(8)6-10/h2-6,9H,1H3
InChI Key:	BHUPNWLTAGQULX-UHFFFAOYSA-N
Boiling Point:	350.192 °C at 760 mmHg
Density:	1.407 g/cm³
Storage:	Inert atmosphere, 2-8 °C
LogP:	2.02440

Publication Number	Title	Priority Date
EP-3102207-A1	2,4,5-tri-substituted azole-based casein kinase 1 inhibitors as inducers for cardiomyogenesis	20140207
WO-2015119579-A1	2,4,5-tri-substituted azole-based casein kinase 1 inhibitors as inducers for cardiomyogenesis	20140207
AU-2014240129-A1	Tripeptide epoxy ketone protease inhibitors	20130314
AU-2014240129-B2	Tripeptide epoxy ketone protease inhibitors	20130314
CA-2903720-A1	Tripeptide epoxy ketone protease inhibitors	20130314

PMID	Publication Date	Title	Journal
11486248	20010901	Three thiadiazinone derivatives, EMD 60417, EMD 66430, and EMD 66398, with class III antiarrhythmic activity but different electrophysiologic profiles	Journal of cardiovascular pharmacology

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]
1-(2-Cyanophenyl)urea
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid

Complexity:	268
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	199.03031432
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	199.03031432
Rotatable Bond Count:	3
Topological Polar Surface Area:	71.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9