6-cyclohexa-1,3-dien-1-yl-1,4-dioxine-2-sulfonamide

C10H11NO4S — CID 68918921

IUPAC6-cyclohexa-1,3-dien-1-yl-1,4-dioxine-2-sulfonamide
SMILESNS(=O)(=O)C1=COC=C(C2=CC=CCC2)O1
InChIInChI=1S/C10H11NO4S/c11-16(12,13)10-7-14-6-9(15-10)8-4-2-1-3-5-8/h1-2,4,6-7H,3,5H2,(H2,11,12,13)
InChIKeySYDATBSSYIMWKR-UHFFFAOYSA-N
MW241.27 g/mol
LogP1.24
Rot. Bonds2

About 6-cyclohexa-1,3-dien-1-yl-1,4-dioxine-2-sulfonamide

6-cyclohexa-1,3-dien-1-yl-1,4-dioxine-2-sulfonamide (PubChem CID 68918921) has the molecular formula C10H11NO4S and a molecular weight of 241.27 g/mol. Its IUPAC name is 6-cyclohexa-1,3-dien-1-yl-1,4-dioxine-2-sulfonamide.

Molecular Properties

Compound Name6-cyclohexa-1,3-dien-1-yl-1,4-dioxine-2-sulfonamide
PubChem CID68918921
Molecular FormulaC10H11NO4S
Molecular Weight241.27 g/mol
Exact Mass241.04
IUPAC Name6-cyclohexa-1,3-dien-1-yl-1,4-dioxine-2-sulfonamide
SMILESNS(=O)(=O)C1=COC=C(C2=CC=CCC2)O1
InChIInChI=1S/C10H11NO4S/c11-16(12,13)10-7-14-6-9(15-10)8-4-2-1-3-5-8/h1-2,4,6-7H,3,5H2,(H2,11,12,13)
InChIKeySYDATBSSYIMWKR-UHFFFAOYSA-N
XLogP1.24
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexa-1,3-dien-1-yl-1,4-dioxine-2-sulfonamide?
The IUPAC name of 6-cyclohexa-1,3-dien-1-yl-1,4-dioxine-2-sulfonamide (CID 68918921) is 6-cyclohexa-1,3-dien-1-yl-1,4-dioxine-2-sulfonamide.
What is the SMILES notation for 6-cyclohexa-1,3-dien-1-yl-1,4-dioxine-2-sulfonamide?
The canonical SMILES for 6-cyclohexa-1,3-dien-1-yl-1,4-dioxine-2-sulfonamide is NS(=O)(=O)C1=COC=C(C2=CC=CCC2)O1.
What is the InChIKey of 6-cyclohexa-1,3-dien-1-yl-1,4-dioxine-2-sulfonamide?
The InChIKey is SYDATBSSYIMWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4S/c11-16(12,13)10-7-14-6-9(15-10)8-4-2-1-3-5-8/h1-2,4,6-7H,3,5H2,(H2,11,12,13).
What are the key properties of 6-cyclohexa-1,3-dien-1-yl-1,4-dioxine-2-sulfonamide?
6-cyclohexa-1,3-dien-1-yl-1,4-dioxine-2-sulfonamide has a molecular weight of 241.27 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexa-1,3-dien-1-yl-1,4-dioxine-2-sulfonamide is sourced from PubChem (CID 68918921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).