2,3-dihydro-1,4-benzodioxine-6-sulfonamide

C8H9NO4S — CID 2769942

IUPAC2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C8H9NO4S/c9-14(10,11)6-1-2-7-8(5-6)13-4-3-12-7/h1-2,5H,3-4H2,(H2,9,10,11)
InChIKeyOAMPULWQGDEOHG-UHFFFAOYSA-N
MW215.23 g/mol
LogP0.11
Rot. Bonds1

About 2,3-dihydro-1,4-benzodioxine-6-sulfonamide

2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 2769942) has the molecular formula C8H9NO4S and a molecular weight of 215.23 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID2769942
Molecular FormulaC8H9NO4S
Molecular Weight215.23 g/mol
Exact Mass215.03
IUPAC Name2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C8H9NO4S/c9-14(10,11)6-1-2-7-8(5-6)13-4-3-12-7/h1-2,5H,3-4H2,(H2,9,10,11)
InChIKeyOAMPULWQGDEOHG-UHFFFAOYSA-N
XLogP0.11
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of 2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 2769942) is 2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxine-6-sulfonamide is NS(=O)(=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is OAMPULWQGDEOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4S/c9-14(10,11)6-1-2-7-8(5-6)13-4-3-12-7/h1-2,5H,3-4H2,(H2,9,10,11).
What are the key properties of 2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 215.23 g/mol, XLogP of 0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 2769942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).