6-cyclohexa-1,3-dien-1-yl-1,4-dioxine-2-sulfonyl chloride

C10H9ClO4S — CID 87211770

IUPAC6-cyclohexa-1,3-dien-1-yl-1,4-dioxine-2-sulfonyl chloride
SMILESO=S(=O)(Cl)C1=COC=C(C2=CC=CCC2)O1
InChIInChI=1S/C10H9ClO4S/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
InChIKeyPHMGDALPELIADH-UHFFFAOYSA-N
MW260.70 g/mol
LogP2.52
Rot. Bonds2

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

6-cyclohexa-1,3-dien-1-yl-1,4-dioxine-2-sulfonyl chloride (PubChem CID 87211770) has the molecular formula C10H9ClO4S and a molecular weight of 260.70 g/mol. Its IUPAC name is 6-cyclohexa-1,3-dien-1-yl-1,4-dioxine-2-sulfonyl chloride.

Molecular Properties

Compound Name6-cyclohexa-1,3-dien-1-yl-1,4-dioxine-2-sulfonyl chloride
PubChem CID87211770
Molecular FormulaC10H9ClO4S
Molecular Weight260.70 g/mol
Exact Mass259.99
IUPAC Name6-cyclohexa-1,3-dien-1-yl-1,4-dioxine-2-sulfonyl chloride
SMILESO=S(=O)(Cl)C1=COC=C(C2=CC=CCC2)O1
InChIInChI=1S/C10H9ClO4S/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
InChIKeyPHMGDALPELIADH-UHFFFAOYSA-N
XLogP2.52
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.70
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-cyclohexa-1,3-dien-1-yl-1,4-dioxine-2-sulfonyl chloride 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 6-cyclohexa-1,3-dien-1-yl-1,4-dioxine-2-sulfonyl chloride?
The IUPAC name of 6-cyclohexa-1,3-dien-1-yl-1,4-dioxine-2-sulfonyl chloride (CID 87211770) is 6-cyclohexa-1,3-dien-1-yl-1,4-dioxine-2-sulfonyl chloride.
What is the SMILES notation for 6-cyclohexa-1,3-dien-1-yl-1,4-dioxine-2-sulfonyl chloride?
The canonical SMILES for 6-cyclohexa-1,3-dien-1-yl-1,4-dioxine-2-sulfonyl chloride is O=S(=O)(Cl)C1=COC=C(C2=CC=CCC2)O1.
What is the InChIKey of 6-cyclohexa-1,3-dien-1-yl-1,4-dioxine-2-sulfonyl chloride?
The InChIKey is PHMGDALPELIADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO4S/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.
What are the key properties of 6-cyclohexa-1,3-dien-1-yl-1,4-dioxine-2-sulfonyl chloride?
6-cyclohexa-1,3-dien-1-yl-1,4-dioxine-2-sulfonyl chloride has a molecular weight of 260.70 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 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-sulfonyl chloride is sourced from PubChem (CID 87211770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).