Quinoline-3-sulfonyl Chloride - CAS 159182-40-8

Catalog:	BB011502
Product Name:	Quinoline-3-sulfonyl Chloride
CAS:	159182-40-8
Synonyms:	3-quinolinesulfonyl chloride; quinoline-3-sulfonyl chloride

Technical Data

Patents

Computed Properties

IUPAC Name:	quinoline-3-sulfonyl chloride
Description:	Quinoline-3-sulfonyl Chloride (CAS# 159182-40-8) is a compound useful in organic synthesis.
Molecular Weight:	227.67
Molecular Formula:	C9H6ClNO2S
Canonical SMILES:	C1=CC=C2C(=C1)C=C(C=N2)S(=O)(=O)Cl
InChI:	InChI=1S/C9H6ClNO2S/c10-14(12,13)8-5-7-3-1-2-4-9(7)11-6-8/h1-6H
InChI Key:	VSAXLHSQUHPTCS-UHFFFAOYSA-N
Boiling Point:	385.826 °C at 760 mmHg
Density:	1.484 g/cm³
LogP:	3.24310

Publication Number	Title	Priority Date
WO-2020219729-A1	Papd5 inhibitors and methods of use thereof	20190424
WO-2019243303-A1	Pyridinyl and pyrazinyl-(aza)indolsulfonamides	20180619
AU-2019289788-A1	Pyridinyl and pyrazinyl-(aza)indolsulfonamides	20180619
CN-112469710-A	Pyridyl and pyrazinyl- (aza) indole sulfonamides	20180619
EP-3810591-A1	Pyridinyl and pyrazinyl-(aza)indolsulfonamides	20180619

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Complexity:	298
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	226.9807773
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	226.9807773
Rotatable Bond Count:	1
Topological Polar Surface Area:	55.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6