3-Amino-N-isopropylbenzenesulfonamide - CAS 118837-66-4

Catalog:	BB004311
Product Name:	3-Amino-N-isopropylbenzenesulfonamide
CAS:	118837-66-4
Synonyms:	3-amino-N-propan-2-ylbenzenesulfonamide; 3-amino-N-propan-2-ylbenzenesulfonamide

Technical Data

Patents

Computed Properties

IUPAC Name:	3-amino-N-propan-2-ylbenzenesulfonamide
Description:	3-Amino-N-isopropylbenzenesulfonamide (CAS# 118837-66-4) is a useful research chemical.
Molecular Weight:	214.28
Molecular Formula:	C9H14N2O2S
Canonical SMILES:	CC(C)NS(=O)(=O)C1=CC=CC(=C1)N
InChI:	InChI=1S/C9H14N2O2S/c1-7(2)11-14(12,13)9-5-3-4-8(10)6-9/h3-7,11H,10H2,1-2H3
InChI Key:	NIUZLEBXTLRCKA-UHFFFAOYSA-N
Boiling Point:	384 °C at 760 mmHg
Density:	1.219 g/cm³
LogP:	3.00840

Publication Number	Title	Priority Date
CN-109836415-B	Urea compounds as ALK inhibitors	20171129
US-2018290984-A1	Brd4-kinase inhibitors as cancer therapeutics	20151013
WO-2017066428-A1	Brd4-kinase inhibitors as cancer therapeutics	20151013
US-10738016-B2	BRD4-kinase inhibitors as cancer therapeutics	20151013
US-2020407328-A1	Brd4-kinase inhibitors as cancer therapeutics	20151013

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[87-88-7]
Chloranilic acid
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[55441-25-3]
1-(2-Cyanophenyl)urea
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[1016519-61-1]
2-(Methyl-2-pyridylamino)acetic Acid

Complexity:	269
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	214.07759887
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	214.07759887
Rotatable Bond Count:	3
Topological Polar Surface Area:	80.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8