2-Bromo-N-(p-toluenesulfonyl)pyrrole - CAS 290306-56-8

Catalog:	BB020054
Product Name:	2-Bromo-N-(p-toluenesulfonyl)pyrrole
CAS:	290306-56-8
Synonyms:	2-bromo-1-(4-methylphenyl)sulfonylpyrrole; 2-bromo-1-(4-methylphenyl)sulfonylpyrrole

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Computed Properties

IUPAC Name:	2-bromo-1-(4-methylphenyl)sulfonylpyrrole
Description:	2-Bromo-N-(p-toluenesulfonyl)pyrrole (CAS# 290306-56-8) is useful chemical for research.
Molecular Weight:	300.17
Molecular Formula:	C11H10BrNO2S
Canonical SMILES:	CC1=CC=C(C=C1)S(=O)(=O)N2C=CC=C2Br
InChI:	InChI=1S/C11H10BrNO2S/c1-9-4-6-10(7-5-9)16(14,15)13-8-2-3-11(13)12/h2-8H,1H3
InChI Key:	DEGWOQDAQOPOEW-UHFFFAOYSA-N
Boiling Point:	426.9 °C at 760 mmHg
Density:	1.53 g/cm³
MDL:	MFCD07364061
LogP:	3.87680

Publication Number	Title	Priority Date
WO-2021000935-A1	Hpk1 inhibitors and uses thereof	20190704
WO-2020203950-A1	Novel azaindole derivative	20190329
WO-2019238067-A1	Pyrrolo [2, 3-b] pyridines or pyrrolo [2, 3-b] pyrazines as hpk1 inhibitor and the use thereof	20180613
EP-2958897-A2	Compounds useful as modulators of trpm8	20130219
EP-3461816-A1	Five-membered heterocylic compounds useful as modulators of trpm8	20130219

PMID	Publication Date	Title	Journal
21200695	20071206	Bis(1-tosyl-2-pyrrol-yl)ethyne	Acta crystallographica. Section E, Structure reports online

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Related Functional Groups

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	330
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	298.96156
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	298.96156
Rotatable Bond Count:	2
Topological Polar Surface Area:	47.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3