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4-Methoxybenzenesulfonamide

CAT: 0024-sc-226714Size: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-226714Size:5 g
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CAS Number
1129-26-6

Chemical Information

4-Methoxybenzenesulfonamide
CAS Number1129-26-6
PubChem CID70789
IUPAC Name4-methoxybenzenesulfonamide
Molecular FormulaC7H9NO3S
Molecular Weight187.22
XLogP0.5
Topological Polar Surface Area77.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity224
SMILES
COC1=CC=C(C=C1)S(=O)(=O)N
InChI
InChI=1S/C7H9NO3S/c1-11-6-2-4-7(5-3-6)12(8,9)10/h2-5H,1H3,(H2,8,9,10)
InChIKey
MSFQEZBRFPAFEX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Methoxybenzenesulfonamide
CAS: 1129-26-6
CID: 70789
Formula: C7H9NO3S
MW: 187.22
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight187.22
XLogP30.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass187.03031432
Monoisotopic Mass187.03031432
Topological Polar Surface Area77.8 Ų
Heavy Atom Count12
Formal Charge0
Complexity224
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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