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N-Fluorobenzenesulfonimide

CAT: 0572-TRC-F596833-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-F596833-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
133745-75-2
Hazard Statement
No Data Available
Smiles
FN(S(=O)(=O)c1ccccc1)S(=O)(=O)c2ccccc2
Molecular Formula
C12H10FNO4S2
Molecular Weight
315.34
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

N-Fluorobenzenesulfonimide

structure in first source

CAS Number133745-75-2
PubChem CID588007
IUPAC NameN-(benzenesulfonyl)-N-fluorobenzenesulfonamide
Molecular FormulaC12H10FNO4S2
Molecular Weight315.3
XLogP2.6
Topological Polar Surface Area88.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count20
Formal Charge0
Complexity461
SMILES
C1=CC=C(C=C1)S(=O)(=O)N(F)S(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C12H10FNO4S2/c13-14(19(15,16)11-7-3-1-4-8-11)20(17,18)12-9-5-2-6-10-12/h1-10H
InChIKey
RLKHFSNWQCZBDC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Fluorobenzenesulfonimide
CAS: 133745-75-2
CID: 588007
Formula: C12H10FNO4S2
MW: 315.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight315.3
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass315.00352831
Monoisotopic Mass315.00352831
Topological Polar Surface Area88.3 Ų
Heavy Atom Count20
Formal Charge0
Complexity461
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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