4-Acetamidobenzenesulfonyl azide - CAS 2158-14-7

Name: 4-Acetamidobenzenesulfonyl azide
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB016984
Product Name:	4-Acetamidobenzenesulfonyl azide
CAS:	2158-14-7
Synonyms:	N-(4-azidosulfonylphenyl)acetamide

Technical Data

IUPAC Name:	N-(4-azidosulfonylphenyl)acetamide
Description:	4-Acetamidobenzenesulfonyl azide (CAS# 2158-14-7) is a reactant in the synthesis of aminocyclitol pactamycin as translocation inhibitor.
Molecular Weight:	240.24
Molecular Formula:	C8H8N4O3S
Canonical SMILES:	CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N=[N+]=[N-]
InChI:	InChI=1S/C8H8N4O3S/c1-6(13)10-7-2-4-8(5-3-7)16(14,15)12-11-9/h2-5H,1H3,(H,10,13)
InChI Key:	NTMHWRHEGDRTPD-UHFFFAOYSA-N
Melting Point:	107-111 °C
Purity:	98 %
Appearance:	White to yellow solid, powder, crystals, crystalline powder and/or chunks
Storage:	2-8 °C
MDL:	MFCD00029626
LogP:	2.25056

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

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PMID	Publication Date	Title	Journal
21579151	20100417	4-Acetamido-N-(λ-triphenyl-phospho-ranyl-idene)benzene-sulfonamide	Acta crystallographica. Section E, Structure reports online
19419172	20090527	Target-directed organocatalysis: a direct asymmetric catalytic approach to chiral propargylic and allylic fluorides	Journal of the American Chemical Society
18439572	20080721	Rhodium(II)-catalyzed decomposition of 3-O-(2-diazo-2-phenylacetyl)-1,2;5,6-di-O-isopropylidene-alpha-D-allofuranose: diastereoselective ether formation	Carbohydrate research
15787586	20050401	Simple preparation of alpha-diazo esters	The Journal of organic chemistry

Complexity:	400
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	240.03171130
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	240.03171130
Rotatable Bond Count:	3
Topological Polar Surface Area:	86 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	1
XLogP3:	1.8