4-Chloro-3-pyridinesulfonyl Chloride - CAS 33263-44-4

Catalog:	BB021639
Product Name:	4-Chloro-3-pyridinesulfonyl Chloride
CAS:	33263-44-4
Synonyms:	4-chloro-3-pyridinesulfonyl chloride; 4-chloropyridine-3-sulfonyl chloride

Technical Data

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Computed Properties

IUPAC Name:	4-chloropyridine-3-sulfonyl chloride
Description:	4-Chloropyridine-3-sulfonyl Chloride can be used for antiinflammatory properties.
Molecular Weight:	212.05
Molecular Formula:	C5H3Cl2NO2S
Canonical SMILES:	C1=CN=CC(=C1Cl)S(=O)(=O)Cl
InChI:	InChI=1S/C5H3Cl2NO2S/c6-4-1-2-8-3-5(4)11(7,9)10/h1-3H
InChI Key:	KCNWYJPUGJYMNO-UHFFFAOYSA-N
LogP:	2.74330

Publication Number	Title	Priority Date
WO-2021002473-A1	Nrf2-activating compound	20190703
WO-2020117634-A1	Ire1 small molecule inhibitors	20181203
WO-2020117635-A1	Ire1 small molecule inhibitors	20181203
EP-3891130-A1	Ire1 small molecule inhibitors	20181203
EP-3891137-A1	Ire1 small molecule inhibitors	20181203

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[5310-68-9]
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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P330, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	223
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	210.9261549
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	210.9261549
Rotatable Bond Count:	1
Topological Polar Surface Area:	55.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5