Methyl 3-(Chlorosulfonyl)-2-methylbenzoate - CAS 98812-46-5

Catalog:	BB042219
Product Name:	Methyl 3-(Chlorosulfonyl)-2-methylbenzoate
CAS:	98812-46-5
Synonyms:	3-chlorosulfonyl-2-methylbenzoic acid methyl ester; methyl 3-chlorosulfonyl-2-methylbenzoate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 3-chlorosulfonyl-2-methylbenzoate
Description:	Methyl 3-(Chlorosulfonyl)-2-methylbenzoate (CAS# 98812-46-5) is a useful research chemical.
Molecular Weight:	248.68
Molecular Formula:	C9H9ClO4S
Canonical SMILES:	CC1=C(C=CC=C1S(=O)(=O)Cl)C(=O)OC
InChI:	InChI=1S/C9H9ClO4S/c1-6-7(9(11)14-2)4-3-5-8(6)15(10,12)13/h3-5H,1-2H3
InChI Key:	OJWRMHUELXMWLU-UHFFFAOYSA-N
LogP:	2.78990

Publication Number	Title	Priority Date
WO-2020086728-A1	Compounds and compositions for treating conditions associated with nlrp activity	20181024
CN-113347970-A	Compounds and compositions for treating conditions associated with NLRP activity	20181024
EP-3870168-A1	Compounds and compositions for treating conditions associated with nlrp activity	20181024
WO-2019079119-A1	SULFONAMIDES AND ASSOCIATED COMPOSITIONS FOR THE TREATMENT OF PATHOLOGICAL CONDITIONS ASSOCIATED WITH NLRP ACTIVITY	20171017
CN-111417622-A	Sulfonamides and compositions thereof for the treatment of conditions associated with N L RP activity	20171017

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Related Functional Groups

Carbonyl Compounds

[87-88-7]
Chloranilic acid
[17746-05-3]
Undecanoyl chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[927676-51-5]
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid

Complexity:	333
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	247.9910076
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	247.9910076
Rotatable Bond Count:	3
Topological Polar Surface Area:	68.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2