Methyl 2-Sulfamoylisonicotinate - CAS 75903-51-4

Catalog:	BB035436
Product Name:	Methyl 2-Sulfamoylisonicotinate
CAS:	75903-51-4
Synonyms:	2-sulfamoyl-4-pyridinecarboxylic acid methyl ester; methyl 2-sulfamoylpyridine-4-carboxylate

Technical Data

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Patents

Computed Properties

IUPAC Name:	methyl 2-sulfamoylpyridine-4-carboxylate
Description:	Methyl 2-Sulfamoylisonicotinate (CAS# 75903-51-4) is a useful research chemical.
Molecular Weight:	216.21
Molecular Formula:	C7H8N2O4S
Canonical SMILES:	COC(=O)C1=CC(=NC=C1)S(=O)(=O)N
InChI:	InChI=1S/C7H8N2O4S/c1-13-7(10)5-2-3-9-6(4-5)14(8,11)12/h2-4H,1H3,(H2,8,11,12)
InChI Key:	YTHOVWCRGMPADR-UHFFFAOYSA-N
LogP:	1.29670

Publication Number	Title	Priority Date
AU-2017416068-A1	Novel compounds and uses	20170524
CA-3059458-A1	Novel compounds and uses	20170524
US-2020207780-A1	Novel compounds and uses	20170524
WO-2018215818-A1	Novel compounds and uses	20170524
JP-2020520984-A	Novel compounds and uses	20170524

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[1427004-19-0]
DBCO-PEG4-NHS ester
[17746-05-3]
Undecanoyl chloride
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

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

Complexity:	308
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	216.02047791
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	216.02047791
Rotatable Bond Count:	3
Topological Polar Surface Area:	108 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.4