2-Tosylaniline - CAS 1213-33-8

Catalog:	BB005125
Product Name:	2-Tosylaniline
CAS:	1213-33-8
Synonyms:	2-(4-methylphenyl)sulfonylaniline; 2-(4-methylphenyl)sulfonylaniline

Technical Data

Patents

Computed Properties

IUPAC Name:	2-(4-methylphenyl)sulfonylaniline
Description:	2-Tosylaniline (CAS# 1213-33-8 ) is a useful research chemical.
Molecular Weight:	247.31
Molecular Formula:	C13H13NO2S
Canonical SMILES:	CC1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2N
InChI:	InChI=1S/C13H13NO2S/c1-10-6-8-11(9-7-10)17(15,16)13-5-3-2-4-12(13)14/h2-9H,14H2,1H3
InChI Key:	XOPAGLKXJILVRD-UHFFFAOYSA-N
Boiling Point:	445 °C at 760 mmHg
Density:	1.259 g/cm³
LogP:	4.07200

Publication Number	Title	Priority Date
US-2020352921-A1	Aryl-sulfonamide and aryl-sulfone derivatives as trpml modulators	20170507
US-2009131475-A1	Compositions and methods for the treatment of metabolic disorders	20070202
US-2013005768-A1	Compositions and methods for the treatment of metabolic disorders	20070202
US-2014038984-A1	Compositions and Methods for the Treatment of Metabolic and Related Disorders	20070202
US-2014045854-A1	Methods and Compositions for the Treatment of Cancer and Related Hyperproliferative Disorders	20070202

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Complexity:	339
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	247.06669983
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	247.06669983
Rotatable Bond Count:	2
Topological Polar Surface Area:	68.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6