3-Bromo-N-(tert-butyl)benzenesulfonamide - CAS 308283-47-8

Catalog:	BB020737
Product Name:	3-Bromo-N-(tert-butyl)benzenesulfonamide
CAS:	308283-47-8
Synonyms:	3-bromo-N-tert-butylbenzenesulfonamide; 3-bromo-N-tert-butylbenzenesulfonamide

Technical Data

Patents

Computed Properties

IUPAC Name:	3-bromo-N-tert-butylbenzenesulfonamide
Description:	3-Bromo-N-(tert-butyl)benzenesulfonamide (CAS# 308283-47-8) is an intermediate used to prepare benzamides as selective angiotensin II AT2 receptor agonists.
Molecular Weight:	292.19
Molecular Formula:	C10H14BrNO2S
Canonical SMILES:	CC(C)(C)NS(=O)(=O)C1=CC(=CC=C1)Br
InChI:	InChI=1S/C10H14BrNO2S/c1-10(2,3)12-15(13,14)9-6-4-5-8(11)7-9/h4-7,12H,1-3H3
InChI Key:	PKTQHWKZGFKXGT-UHFFFAOYSA-N
Boiling Point:	365.3 °C at 760 mmHg
Density:	1.419 g/cm³
MDL:	MFCD07363824
LogP:	3.99760

Publication Number	Title	Priority Date
EP-3786156-A1	10h-phenothiazine ferroptosis inhibitor and preparation method therefor and application thereof	20180427
WO-2019195739-A1	Modulators of cystic fibrosis transmembrane conductance regulator	20180405
US-2021139514-A1	Modulators of cystic fibrosis transmembrane conductance regulator	20180405
KR-20150126901-A	Antiviral compounds	20130306
AU-2010363329-A1	Compositions and methods for treating myelofibrosis	20101107

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Carbonyl Compounds

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Complexity:	302
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	290.99286
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	290.99286
Rotatable Bond Count:	3
Topological Polar Surface Area:	54.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8