3-(4-chlorophenyl)-2,6a-dihydrothieno[2,3-d][1,2]oxazole 4,4-dioxide

C11H8ClNO3S — CID 4673148

IUPAC3-(4-chlorophenyl)-2,6a-dihydrothieno[2,3-d][1,2]oxazole 4,4-dioxide
SMILESO=S1(=O)C=CC2ONC(c3ccc(Cl)cc3)=C21
InChIInChI=1S/C11H8ClNO3S/c12-8-3-1-7(2-4-8)10-11-9(16-13-10)5-6-17(11,14)15/h1-6,9,13H
InChIKeyIQUNMIYZPVQOHN-UHFFFAOYSA-N
MW269.71 g/mol
LogP1.85
Rot. Bonds1

About 3-(4-chlorophenyl)-2,6a-dihydrothieno[2,3-d][1,2]oxazole 4,4-dioxide

3-(4-chlorophenyl)-2,6a-dihydrothieno[2,3-d][1,2]oxazole 4,4-dioxide (PubChem CID 4673148) has the molecular formula C11H8ClNO3S and a molecular weight of 269.71 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2,6a-dihydrothieno[2,3-d][1,2]oxazole 4,4-dioxide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2,6a-dihydrothieno[2,3-d][1,2]oxazole 4,4-dioxide
PubChem CID4673148
Molecular FormulaC11H8ClNO3S
Molecular Weight269.71 g/mol
Exact Mass268.99
IUPAC Name3-(4-chlorophenyl)-2,6a-dihydrothieno[2,3-d][1,2]oxazole 4,4-dioxide
SMILESO=S1(=O)C=CC2ONC(c3ccc(Cl)cc3)=C21
InChIInChI=1S/C11H8ClNO3S/c12-8-3-1-7(2-4-8)10-11-9(16-13-10)5-6-17(11,14)15/h1-6,9,13H
InChIKeyIQUNMIYZPVQOHN-UHFFFAOYSA-N
XLogP1.85
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.71
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-chlorophenyl)-2,6a-dihydrothieno[2,3-d][1,2]oxazole 4,4-dioxide with MolForge

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

Launch Full Analysis

Related Compounds

3-(3,4-dichlorophenyl)-2H,6aH-4lambda6-thieno(2,3-d)(1,2)oxazole-4,4-dione
CID 132327185
(6aR)-3-(4-fluorophenyl)-2,6a-dihydrothieno[2,3-d][1,2]oxazole 4,4-dioxide
CID 2212523
(6aS)-3-(4-fluorophenyl)-2,6a-dihydrothieno[2,3-d][1,2]oxazole 4,4-dioxide
CID 2212524
3-(4-Chlorophenyl)-2,3-dihydro-1,4,2-oxathiazine 4,4-dioxide
CID 57192023
(6aR)-3-(2,6-dichlorophenyl)-2,6a-dihydrothieno[2,3-d][1,2]oxazole 4,4-dioxide
CID 2212481
(6aS)-3-(2,6-dichlorophenyl)-2,6a-dihydrothieno[2,3-d][1,2]oxazole 4,4-dioxide
CID 2212482
3-(4-Methylphenyl)-2,6a-dihydrothieno[2,3-d][1,2]oxazole 4,4-dioxide
CID 132327176
3-(3,5-Dichlorophenyl)-2,6a-dihydrothieno[2,3-d][1,2]oxazole 4,4-dioxide
CID 132327178

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2,6a-dihydrothieno[2,3-d][1,2]oxazole 4,4-dioxide?
The IUPAC name of 3-(4-chlorophenyl)-2,6a-dihydrothieno[2,3-d][1,2]oxazole 4,4-dioxide (CID 4673148) is 3-(4-chlorophenyl)-2,6a-dihydrothieno[2,3-d][1,2]oxazole 4,4-dioxide.
What is the SMILES notation for 3-(4-chlorophenyl)-2,6a-dihydrothieno[2,3-d][1,2]oxazole 4,4-dioxide?
The canonical SMILES for 3-(4-chlorophenyl)-2,6a-dihydrothieno[2,3-d][1,2]oxazole 4,4-dioxide is O=S1(=O)C=CC2ONC(c3ccc(Cl)cc3)=C21.
What is the InChIKey of 3-(4-chlorophenyl)-2,6a-dihydrothieno[2,3-d][1,2]oxazole 4,4-dioxide?
The InChIKey is IQUNMIYZPVQOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO3S/c12-8-3-1-7(2-4-8)10-11-9(16-13-10)5-6-17(11,14)15/h1-6,9,13H.
What are the key properties of 3-(4-chlorophenyl)-2,6a-dihydrothieno[2,3-d][1,2]oxazole 4,4-dioxide?
3-(4-chlorophenyl)-2,6a-dihydrothieno[2,3-d][1,2]oxazole 4,4-dioxide has a molecular weight of 269.71 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2,6a-dihydrothieno[2,3-d][1,2]oxazole 4,4-dioxide is sourced from PubChem (CID 4673148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).