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4-Fluorobenzenesulfonamide

CAT: 0931-Fr213070-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr213070-01Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
402-46-0
Bioactivity
4-Fluorobenzenesulfonamide, with CAS No. 402-46-0, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. 4-Fluorobenzenesulfonamide provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
Smiles
NS(=O)(=O)C1=CC=C(F)C=C1
Molecular Formula
C6H6FNO2S
Molecular Weight
175.18
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-Fluorobenzenesulfonamide

structure given in first source

CAS Number402-46-0
PubChem CID120231
IUPAC Name4-fluorobenzenesulfonamide
Molecular FormulaC6H6FNO2S
Molecular Weight175.18
XLogP0.8
Topological Polar Surface Area68.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity213
SMILES
C1=CC(=CC=C1F)S(=O)(=O)N
InChI
InChI=1S/C6H6FNO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H2,8,9,10)
InChIKey
LFLSATHZMYYIAQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Fluorobenzenesulfonamide
CAS: 402-46-0
CID: 120231
Formula: C6H6FNO2S
MW: 175.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight175.18
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass175.01032777
Monoisotopic Mass175.01032777
Topological Polar Surface Area68.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity213
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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Alternative Products

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GTR19259026-014-Fluorobenzenesulfonamide
458545-01N-Cyclohexyl 4-fluorobenzenesulfonamide
458429-01N-Butyl 4-fluorobenzenesulfonamide
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UCA156302-Chloro-4-fluorobenzenesulfonamide
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