1,4-benzodioxine-6-sulfonamide

C8H7NO4S — CID 23358140

IUPAC1,4-benzodioxine-6-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)OC=CO2
InChIInChI=1S/C8H7NO4S/c9-14(10,11)6-1-2-7-8(5-6)13-4-3-12-7/h1-5H,(H2,9,10,11)
InChIKeyKOAHOYVMFLBJFR-UHFFFAOYSA-N
MW213.21 g/mol
LogP0.58
Rot. Bonds1

About 1,4-benzodioxine-6-sulfonamide

1,4-benzodioxine-6-sulfonamide (PubChem CID 23358140) has the molecular formula C8H7NO4S and a molecular weight of 213.21 g/mol. Its IUPAC name is 1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound Name1,4-benzodioxine-6-sulfonamide
PubChem CID23358140
Molecular FormulaC8H7NO4S
Molecular Weight213.21 g/mol
Exact Mass213.01
IUPAC Name1,4-benzodioxine-6-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)OC=CO2
InChIInChI=1S/C8H7NO4S/c9-14(10,11)6-1-2-7-8(5-6)13-4-3-12-7/h1-5H,(H2,9,10,11)
InChIKeyKOAHOYVMFLBJFR-UHFFFAOYSA-N
XLogP0.58
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,4-benzodioxine-6-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,4-benzodioxine-6-sulfonamide?
The IUPAC name of 1,4-benzodioxine-6-sulfonamide (CID 23358140) is 1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for 1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for 1,4-benzodioxine-6-sulfonamide is NS(=O)(=O)c1ccc2c(c1)OC=CO2.
What is the InChIKey of 1,4-benzodioxine-6-sulfonamide?
The InChIKey is KOAHOYVMFLBJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO4S/c9-14(10,11)6-1-2-7-8(5-6)13-4-3-12-7/h1-5H,(H2,9,10,11).
What are the key properties of 1,4-benzodioxine-6-sulfonamide?
1,4-benzodioxine-6-sulfonamide has a molecular weight of 213.21 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 23358140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).