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2,4-Dimethoxybenzenesulfonamide

CAT: 0127-OR54756-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR54756-01Size:1 g
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CAS Number
51770-71-9
MDL Number
MFCD06147001
Purity
98%
Smiles
COc1ccc(c(OC)c1)S(=O)(=O)N

Chemical Information

2,4-Dimethoxybenzenesulfonamide
CAS Number51770-71-9
PubChem CID6469795
IUPAC Name2,4-dimethoxybenzenesulfonamide
Molecular FormulaC8H11NO4S
Molecular Weight217.24
XLogP0.1
Topological Polar Surface Area87
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity272
SMILES
COC1=CC(=C(C=C1)S(=O)(=O)N)OC
InChI
InChI=1S/C8H11NO4S/c1-12-6-3-4-8(14(9,10)11)7(5-6)13-2/h3-5H,1-2H3,(H2,9,10,11)
InChIKey
MGHCDRVTMABICG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,4-Dimethoxybenzenesulfonamide
CAS: 51770-71-9
CID: 6469795
Formula: C8H11NO4S
MW: 217.24
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight217.24
XLogP30.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass217.04087901
Monoisotopic Mass217.04087901
Topological Polar Surface Area87 Ų
Heavy Atom Count14
Formal Charge0
Complexity272
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