2-Methoxy-5-(morpholinosulfonyl)aniline - CAS 56807-17-1

Catalog:	BB029494
Product Name:	2-Methoxy-5-(morpholinosulfonyl)aniline
CAS:	56807-17-1
Synonyms:	2-methoxy-5-(4-morpholinylsulfonyl)aniline; 2-methoxy-5-morpholin-4-ylsulfonylaniline

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-methoxy-5-morpholin-4-ylsulfonylaniline
Description:	2-Methoxy-5-(morpholinosulfonyl)aniline (CAS# 56807-17-1) is a useful research chemical.
Molecular Weight:	272.32
Molecular Formula:	C11H16N2O4S
Canonical SMILES:	COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)N
InChI:	InChI=1S/C11H16N2O4S/c1-16-11-3-2-9(8-10(11)12)18(14,15)13-4-6-17-7-5-13/h2-3,8H,4-7,12H2,1H3
InChI Key:	YIEVSJJAWVBFTE-UHFFFAOYSA-N
Boiling Point:	472.6 °C at 760 mmHg
Density:	1.347 g/cm³
MDL:	MFCD03147335
LogP:	1.89820

Publication Number	Title	Priority Date
WO-2020127846-A1	Condensed pyrroles as novel bromodomain inhibitors	20181221
EP-3898587-A1	Condensed pyrroles as novel bromodomain inhibitors	20181221
WO-2020127846-A9	Condensed pyrroles as novel bromodomain inhibitors	20181221
WO-2015193229-A1	Bet-protein inhibiting 1,4-dihydropyrido[3,4-b]pyrazinones with meta-substituted aromatic amino- or ether groups	20140619
CA-2917562-A1	Modified bet-protein-inhibiting dihydroquinoxalinones and dihydropyridopyrazinones	20130709

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Related Functional Groups

Amines and Anilines

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1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	362
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	272.08307817
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	272.08307817
Rotatable Bond Count:	3
Topological Polar Surface Area:	90.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6