Difluoromethanesulfonamide - CAS 50585-74-5

Catalog:	BB027120
Product Name:	Difluoromethanesulfonamide
CAS:	50585-74-5
Synonyms:	difluoromethanesulfonamide; difluoromethanesulfonamide

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Computed Properties

IUPAC Name:	difluoromethanesulfonamide
Description:	Difluoromethanesulfonamide (CAS# 50585-74-5) is a useful research chemical.
Molecular Weight:	131.10
Molecular Formula:	CH3F2NO2S
Canonical SMILES:	C(F)(F)S(=O)(=O)N
InChI:	InChI=1S/CH3F2NO2S/c2-1(3)7(4,5)6/h1H,(H2,4,5,6)
InChI Key:	CWKHJADKQVHTAU-UHFFFAOYSA-N
Boiling Point:	231.063 ℃ at 760 mmHg
Density:	1.618 g/cm³
MDL:	MFCD11099483
LogP:	1.27860

Publication Number	Title	Priority Date
BR-112020021323-A2	DOUBLE ATM AND DNA-PK INHIBITORS FOR USE IN ANTITUMORAL THERAPY	20180420
CA-3074013-A1	Ectonucleotide pyrophosphatase-phosphodiesterase 1 (enpp-1) inhibitors and uses thereof	20170831
BR-112020004209-A2	ectonucleotide piophosphatase-phosphodiesterase 1 (enpp-1) inhibitors and their use	20170831
AU-2018312326-A1	Heterocyclic compound and use thereof	20170803
CA-3071972-A1	Heterocyclic compound and use thereof	20170803

PMID	Publication Date	Title	Journal
16203142	20051201	Carbonic anhydrase inhibitors: inhibition of the human isozymes I, II, VA, and IX with a library of substituted difluoromethanesulfonamides	Bioorganic & medicinal chemistry letters
16132094	20050921	Synthesis of a non-hydrolyzable estrone sulfate analogue bearing the difluoromethanesulfonamide group and its evaluation as a steroid sulfatase inhibitor	Organic & biomolecular chemistry

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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+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	132
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	130.98525584
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	130.98525584
Rotatable Bond Count:	1
Topological Polar Surface Area:	68.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1