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1,3-Dioxaindane-5-sulfonamide

CAT: 0926-FAA27949-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-FAA27949-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
5279-49-2
MDL Number
MFCD11650801
Smiles
C1OC2=C (O1) C=C (C=C2) S (=O) (=O) N
Molecular Formula
C7H7NO4S
Molecular Weight
201.2 g/mol
Controlled
No

Chemical Information

3,4-Methylenedioxyphenylsulfonamide
CAS Number5279-49-2
PubChem CID192809
IUPAC Name1,3-benzodioxole-5-sulfonamide
Molecular FormulaC7H7NO4S
Molecular Weight201.20
XLogP0.2
Topological Polar Surface Area87
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity283
SMILES
C1OC2=C(O1)C=C(C=C2)S(=O)(=O)N
InChI
InChI=1S/C7H7NO4S/c8-13(9,10)5-1-2-6-7(3-5)12-4-11-6/h1-3H,4H2,(H2,8,9,10)
InChIKey
JHTLPSNDZNHQDZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,4-Methylenedioxyphenylsulfonamide
CAS: 5279-49-2
CID: 192809
Formula: C7H7NO4S
MW: 201.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight201.20
XLogP30.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass201.00957888
Monoisotopic Mass201.00957888
Topological Polar Surface Area87 Ų
Heavy Atom Count13
Formal Charge0
Complexity283
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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