3-(Trifluoromethoxy)benzenesulfonamide - CAS 503179-70-2

Catalog:	BB027006
Product Name:	3-(Trifluoromethoxy)benzenesulfonamide
CAS:	503179-70-2
Synonyms:	3-(trifluoromethoxy)benzenesulfonamide; 3-(trifluoromethoxy)benzenesulfonamide

Technical Data

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Computed Properties

IUPAC Name:	3-(trifluoromethoxy)benzenesulfonamide
Description:	3-(Trifluoromethoxy)benzenesulfonamide (CAS# 503179-70-2) is a useful research chemical.
Molecular Weight:	241.19
Molecular Formula:	C7H6F3NO3S
Canonical SMILES:	C1=CC(=CC(=C1)S(=O)(=O)N)OC(F)(F)F
InChI:	InChI=1S/C7H6F3NO3S/c8-7(9,10)14-5-2-1-3-6(4-5)15(11,12)13/h1-4H,(H2,11,12,13)
InChI Key:	PPKQBZLWPZIXOQ-UHFFFAOYSA-N
MDL:	MFCD03094233
LogP:	3.01370

Publication Number	Title	Priority Date
CN-107098846-B	N-acyl sulfonamide FBPase inhibitor, preparation method thereof, pharmaceutical composition and application thereof	20160226
AU-2016222278-A1	Sulfonylureas and related compounds and use of same	20150216
AU-2020203464-A1	Sulfonylureas and related compounds and use of same	20150216
CA-2975192-A1	Sulfonylureas and related compounds and use of same	20150216
EP-3259253-A1	Sulfonylureas and related compounds and use of same	20150216

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Carbonyl Compounds

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	308
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	241.00204871
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	7
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	241.00204871
Rotatable Bond Count:	2
Topological Polar Surface Area:	77.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8