N-tert-Butyl 3-Aminophenylsulfonamide - CAS 608523-94-0

Catalog:	BB030840
Product Name:	N-tert-Butyl 3-Aminophenylsulfonamide
CAS:	608523-94-0
Synonyms:	3-amino-N-tert-butylbenzenesulfonamide; 3-amino-N-tert-butylbenzenesulfonamide

Technical Data

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Computed Properties

IUPAC Name:	3-amino-N-tert-butylbenzenesulfonamide
Description:	3-Amino-N-(Tertbutylbenzenesulfonamide can be used USP30 inhibitors.
Molecular Weight:	228.31
Molecular Formula:	C10H16N2O2S
Canonical SMILES:	CC(C)(C)NS(=O)(=O)C1=CC=CC(=C1)N
InChI:	InChI=1S/C10H16N2O2S/c1-10(2,3)12-15(13,14)9-6-4-5-8(11)7-9/h4-7,12H,11H2,1-3H3
InChI Key:	KLQVFEHOLLUULE-UHFFFAOYSA-N
Boiling Point:	387.3 °C at 760 mmHg
Density:	1.189 g/cm³
MDL:	MFCD06660528
LogP:	3.39850

Publication Number	Title	Priority Date
WO-2021211549-A1	Kif18a inhibitors for treatment of neoplastic diseases	20200414
WO-2021050992-A1	Usp30 inhibitors and uses thereof	20190911
WO-2021026098-A1	Kif18a inhibitors	20190802
WO-2021026099-A1	Kif18a inhibitors	20190802
WO-2021026100-A1	Pyridine derivatives as kif18a inhibitors	20190802

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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+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	300
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	228.09324893
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	228.09324893
Rotatable Bond Count:	3
Topological Polar Surface Area:	80.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1