4-Methyl-3-(methylsulfonamido)benzoic Acid - CAS 450368-33-9

Catalog:	BB025750
Product Name:	4-Methyl-3-(methylsulfonamido)benzoic Acid
CAS:	450368-33-9
Synonyms:	3-(methanesulfonamido)-4-methylbenzoic acid; 3-(methanesulfonamido)-4-methylbenzoic acid

Technical Data

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Computed Properties

IUPAC Name:	3-(methanesulfonamido)-4-methylbenzoic acid
Description:	4-Methyl-3-(methylsulfonamido)benzoic Acid (CAS# 450368-33-9) is a useful research chemical.
Molecular Weight:	229.25
Molecular Formula:	C9H11NO4S
Canonical SMILES:	CC1=C(C=C(C=C1)C(=O)O)NS(=O)(=O)C
InChI:	InChI=1S/C9H11NO4S/c1-6-3-4-7(9(11)12)5-8(6)10-15(2,13)14/h3-5,10H,1-2H3,(H,11,12)
InChI Key:	QIQLVVVOWQKYAU-UHFFFAOYSA-N
LogP:	2.21850

Publication Number	Title	Priority Date
WO-2020017934-A1	Colored curable resin composition, color filter, and display apparatus	20180720
US-2021038575-A1	Use of 1-phenyl-2-pyridinyl alkyl alcohol derivatives for treating cystic fibrosis	20171228
US-2013156865-A1	Potentiation induced by pde4 inhibitors in the treatment of leukemia	20111216
WO-2013087749-A1	Potentiation induced by pde4 inhibitors in the treatment of leukemia	20111216
AU-2011287711-A1	Dry powder formulation comprising a phosphodiesterase inhibitor	20100803

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Complexity:	333
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	229.04087901
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	229.04087901
Rotatable Bond Count:	3
Topological Polar Surface Area:	91.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8