2-(5,6-dihydro-1,4,2-dioxazin-3-yl)-6-fluorobenzenesulfonamide

C9H9FN2O4S — CID 21249805

IUPAC2-(5,6-dihydro-1,4,2-dioxazin-3-yl)-6-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1c(F)cccc1C1=NOCCO1
InChIInChI=1S/C9H9FN2O4S/c10-7-3-1-2-6(8(7)17(11,13)14)9-12-16-5-4-15-9/h1-3H,4-5H2,(H2,11,13,14)
InChIKeyFZDBMBUESZJXKI-UHFFFAOYSA-N
MW260.25 g/mol
LogP0.18
Rot. Bonds2

About 2-(5,6-dihydro-1,4,2-dioxazin-3-yl)-6-fluorobenzenesulfonamide

2-(5,6-dihydro-1,4,2-dioxazin-3-yl)-6-fluorobenzenesulfonamide (PubChem CID 21249805) has the molecular formula C9H9FN2O4S and a molecular weight of 260.25 g/mol. Its IUPAC name is 2-(5,6-dihydro-1,4,2-dioxazin-3-yl)-6-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-(5,6-dihydro-1,4,2-dioxazin-3-yl)-6-fluorobenzenesulfonamide
PubChem CID21249805
Molecular FormulaC9H9FN2O4S
Molecular Weight260.25 g/mol
Exact Mass260.03
IUPAC Name2-(5,6-dihydro-1,4,2-dioxazin-3-yl)-6-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1c(F)cccc1C1=NOCCO1
InChIInChI=1S/C9H9FN2O4S/c10-7-3-1-2-6(8(7)17(11,13)14)9-12-16-5-4-15-9/h1-3H,4-5H2,(H2,11,13,14)
InChIKeyFZDBMBUESZJXKI-UHFFFAOYSA-N
XLogP0.18
TPSA90.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dihydro-1,4,2-dioxazin-3-yl)-6-fluorobenzenesulfonamide?
The IUPAC name of 2-(5,6-dihydro-1,4,2-dioxazin-3-yl)-6-fluorobenzenesulfonamide (CID 21249805) is 2-(5,6-dihydro-1,4,2-dioxazin-3-yl)-6-fluorobenzenesulfonamide.
What is the SMILES notation for 2-(5,6-dihydro-1,4,2-dioxazin-3-yl)-6-fluorobenzenesulfonamide?
The canonical SMILES for 2-(5,6-dihydro-1,4,2-dioxazin-3-yl)-6-fluorobenzenesulfonamide is NS(=O)(=O)c1c(F)cccc1C1=NOCCO1.
What is the InChIKey of 2-(5,6-dihydro-1,4,2-dioxazin-3-yl)-6-fluorobenzenesulfonamide?
The InChIKey is FZDBMBUESZJXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2O4S/c10-7-3-1-2-6(8(7)17(11,13)14)9-12-16-5-4-15-9/h1-3H,4-5H2,(H2,11,13,14).
What are the key properties of 2-(5,6-dihydro-1,4,2-dioxazin-3-yl)-6-fluorobenzenesulfonamide?
2-(5,6-dihydro-1,4,2-dioxazin-3-yl)-6-fluorobenzenesulfonamide has a molecular weight of 260.25 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dihydro-1,4,2-dioxazin-3-yl)-6-fluorobenzenesulfonamide is sourced from PubChem (CID 21249805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).