4-(Acetylamino)phenyl]imidodisulfuryl difluoride - CAS 2172794-56-6

Catalog:	BB017109
Product Name:	4-(Acetylamino)phenyl]imidodisulfuryl difluoride
CAS:	2172794-56-6
Synonyms:	N-(4-acetamidophenyl)-N-fluorosulfonylsulfamoyl fluoride

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	N-(4-acetamidophenyl)-N-fluorosulfonylsulfamoyl fluoride
Description:	4-(Acetylamino)phenyl]imidodisulfuryl difluoride (CAS# 2172794-56-6 ) is a useful research chemical.
Molecular Weight:	314.29
Molecular Formula:	C8H8F2N2O5S2
Canonical SMILES:	CC(=O)NC1=CC=C(C=C1)N(S(=O)(=O)F)S(=O)(=O)F
InChI:	InChI=1S/C8H8F2N2O5S2/c1-6(13)11-7-2-4-8(5-3-7)12(18(9,14)15)19(10,16)17/h2-5H,1H3,(H,11,13)
InChI Key:	SMMIWAIOWMUFCR-UHFFFAOYSA-N
LogP:	3.11460

Publication Number	Title	Priority Date
TW-202003471-A	SHP2 phosphatase inhibitors and methods of use thereof	20180321
WO-2019183367-A1	Shp2 phosphatase inhibitors and methods of use thereof	20180321
AU-2019240299-A1	SHP2 phosphatase inhibitors and methods of use thereof	20180321
BR-112020019385-A2	SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE OF THE SAME	20180321
CN-112166110-A	SHP2 phosphatase inhibitors and methods of use thereof	20180321

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]
1-(2-Cyanophenyl)urea

Fluorinated Building Blocks

[1946823-77-3]
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[479552-94-8]
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[151585-93-2]
2-Amino-6-fluorobenzaldehyde
[1597-32-6]
2-Amino-6-fluoropyridine

Other Pyrimidines

[479552-94-8]
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[1183749-69-0]
2-(pyrimidin-2-yloxy)phenol
[1632145-37-9]
3-Methyl-3-(perfluoropyridin-4-yl)-1,5-dioxaspiro[5.5]undecane-2,4-dione
[81290-20-2]
Trimethyl(trifluoromethyl)silane
[1489-53-8]
1,2,3-Trifluorobenzene
[67490-21-5]
2,4,6-Tri-tert-butylpyrimidine

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P330, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	497
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	313.98427003
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	8
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	313.98427003
Rotatable Bond Count:	4
Topological Polar Surface Area:	117 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9