2-Chloroethanesulfonamide - CAS 859758-42-2

Catalog:	BB070412
Product Name:	2-Chloroethanesulfonamide
CAS:	859758-42-2
Synonyms:	2-Chloroethane-1-sulfonamide

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	2-chloroethanesulfonamide
Description:	2-Chloroethanesulfonamide can be useful in the preparation of heteroaryl alkyl dithiocarbamate compounds as tyrosine kinase inhibitors, and preparation of aminoquinazolinone and aminoisoquinolinone derivatives as PI3K inhibitor.
Molecular Weight:	143.59
Molecular Formula:	C2H6ClNO2S
Canonical SMILES:	C(CCl)S(=O)(=O)N
InChI:	InChI=1S/C2H6ClNO2S/c3-1-2-7(4,5)6/h1-2H2,(H2,4,5,6)
InChI Key:	GRXZPSDBHFWQRM-UHFFFAOYSA-N
References:	Li, R., et al. PCT Int. Appl., 39pp., WO 2011131135 (2011); Sheng, R., et al. PCT Int. Appl., 74pp., WO 2020134921 (2020).

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Related Functional Groups

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	123
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	142.9807773
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	142.9807773
Rotatable Bond Count:	2
Topological Polar Surface Area:	68.5Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.5