Difluoromethanesulfonamide

CAT: 0127-PC1007406-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-PC1007406-01Size:100 mg

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CAS Number

50585-74-5

MDL Number

MFCD11099483

Purity

95%

Smiles

O=S(C(F)F)(N)=O

Chemical Information

Difluoromethanesulfonamide

CAS Number	50585-74-5
PubChem CID	21893429
IUPAC Name	difluoromethanesulfonamide
Molecular Formula	CH3F2NO2S
Molecular Weight	131.10
XLogP	-0.1
Topological Polar Surface Area	68.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Heavy Atom Count	7
Formal Charge	0
Complexity	132

SMILES

C(F)(F)S(=O)(=O)N

InChI

InChI=1S/CH3F2NO2S/c2-1(3)7(4,5)6/h1H,(H2,4,5,6)

InChIKey

CWKHJADKQVHTAU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 50585-74-5

CID: 21893429

Formula: CH3F2NO2S

MW: 131.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	131.10
XLogP3	-0.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	130.98525584
Monoisotopic Mass	130.98525584
Topological Polar Surface Area	68.5 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	132
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
446926-01	Difluoromethanesulfonamide
sc-334179A	1,1-difluoromethanesulfonamide
DQD64081-01	N- (3-Aminopropyl) -1,1-difluoromethanesulfonamide hydrochloride
KQD93613-01	N- (2-Aminoethyl) -1,1-difluoromethanesulfonamide hydrochloride