4-[2-(Methylsulfonamido)ethyl]phenylboronic Acid - CAS 375346-00-2

Catalog:	BB023324
Product Name:	4-[2-(Methylsulfonamido)ethyl]phenylboronic Acid
CAS:	375346-00-2
Synonyms:	[4-[2-(methanesulfonamido)ethyl]phenyl]boronic acid; [4-[2-(methanesulfonamido)ethyl]phenyl]boronic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	[4-[2-(methanesulfonamido)ethyl]phenyl]boronic acid
Description:	4-[2-(Methylsulfonamido)ethyl]phenylboronic Acid (CAS# 375346-00-2 ) is a useful research chemical.
Molecular Weight:	243.09
Molecular Formula:	C9H14NO4SB
Canonical SMILES:	B(C1=CC=C(C=C1)CCNS(=O)(=O)C)(O)O
InChI:	InChI=1S/C9H14BNO4S/c1-16(14,15)11-7-6-8-2-4-9(5-3-8)10(12)13/h2-5,11-13H,6-7H2,1H3
InChI Key:	HKDGEKJGALNMPF-UHFFFAOYSA-N
LogP:	-0.07020

Publication Number	Title	Priority Date
AU-2005242191-A1	New benzothiazine and benzothiadiazine compounds, a process for their preparation and pharmaceutical compositions containing them	20041210
CA-2527585-A1	New benzothiazine and benzothiadiazine derivatives, their preparation process and the pharmaceutical compounds that contain them	20041210
CN-1785982-A	New benzothiazine and benzothiadiazine compounds, a process for their preparation and pharmaceutical compositions containing them	20041210
EA-010308-B1	NEW COMPOUNDS OF BENZOTHIAZINE AND BENZOTHIADIAZINE, METHOD OF THEIR RECEIVING AND PHARMACEUTICAL COMPOSITIONS THAT CONTAIN THEM	20041210
FR-2879201-A1	NOVEL BENZOTHIAZINE AND BENZOTHIADIAZINE DERIVATIVES, PROCESS FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME	20041210

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Complexity:	293
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	243.0736593
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	243.0736593
Rotatable Bond Count:	5
Topological Polar Surface Area:	95
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0