2,5-Dichlorobenzenesulfonyl chloride - CAS 5402-73-3

Catalog:	BB028466
Product Name:	2,5-Dichlorobenzenesulfonyl chloride
CAS:	5402-73-3
Synonyms:	2,5-dichlorobenzenesulfonyl chloride

Technical Data

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Computed Properties

IUPAC Name:	2,5-dichlorobenzenesulfonyl chloride
Description:	2,5-Dichlorobenzenesulfonyl chloride (CAS# 5402-73-3) is used in the synthesis of sulfonamide derivatives that show antibacterial activity.
Molecular Weight:	245.51
Molecular Formula:	C6H3Cl3O2S
Canonical SMILES:	C1=CC(=C(C=C1Cl)S(=O)(=O)Cl)Cl
InChI:	InChI=1S/C6H3Cl3O2S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3H
InChI Key:	BXCOSWRSIISQSL-UHFFFAOYSA-N
Boiling Point:	327.6 °C at 760 mmHg
Density:	1.636 g/cm³
Appearance:	Beige crystalline powder
MDL:	MFCD00007429
LogP:	4.00170

Publication Number	Title	Priority Date
WO-2020168290-A1	N-aryl benzenesulfonamides for use in treating cancers, bacterial diseases, metabolic diseases, and traumatic brain injury	20190214
WO-2020150638-A1	Berbamine derivatives and methods of use thereof	20190118
EP-3498693-A1	Heterocyclic compound	20160810
US-10696651-B2	Heterocyclic compound	20160810
US-2019169166-A1	Heterocyclic compound	20160810

PMID	Publication Date	Title	Journal
21523047	20110112	2,5-Dichloro-N-(4-meth-oxy-phen-yl)benzensulfonamide	Acta crystallographica. Section E, Structure reports online
21589068	20101023	2-(2,5-Dichloro-benzene-sulfonamido)-3-methyl-butanoic acid	Acta crystallographica. Section E, Structure reports online
21587612	20100925	2,5-Dichloro-N-cyclo-hexyl-benzene-sulfonamide	Acta crystallographica. Section E, Structure reports online

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Related Functional Groups

Sulfur Compounds

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[123-43-3]
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[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]p-toluenesulfonate
[85-47-2]
1-Naphthalenesulfonic acid
[832739-73-8]
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol
[1005651-99-9]
5-[(5-Methyl-1H-pyrazol-1-yl)methyl]-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazole-3-thiol

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	246
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	243.891934
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	243.891934
Rotatable Bond Count:	1
Topological Polar Surface Area:	42.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3