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

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Related Compounds

2,2,3,3-tetrafluoro-1,4-benzodioxine-6-sulfonamide
CID 124928506
benzene-1,3-disulfonamide
CID 3090044
4-amino-3,4-dihydro-2H-chromene-6-sulfonamide
CID 43186511
2,2-dimethyl-3,4-dihydrochromene-7-sulfonamide
CID 142779358
3-sulfamoylbenzenesulfinate
CID 19860050
sodium 2-amino-4-sulfamoylphenolate
CID 102504170
3-amino-4-sulfanylbenzenesulfonamide
CID 43298928
4-hydroxy-3-methylbenzenesulfonamide
CID 57108308
4-(1,4-dioxin-2-ylamino)benzenesulfonamide
CID 174855883
4-N,4-N-dimethylbenzene-1,4-disulfonamide
CID 16784503
CID 159358457
CID 159358457
2-hydroxy-4-sulfamoylbenzenediazonium
CID 71401476

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).