2-ethoxyphenoxathiine 10,10-dioxide

C14H12O4S — CID 10850054

IUPAC2-ethoxyphenoxathiine 10,10-dioxide
SMILESCCOc1ccc2c(c1)S(=O)(=O)c1ccccc1O2
InChIInChI=1S/C14H12O4S/c1-2-17-10-7-8-12-14(9-10)19(15,16)13-6-4-3-5-11(13)18-12/h3-9H,2H2,1H3
InChIKeyQWAUIVMNLJCFFX-UHFFFAOYSA-N
MW276.31 g/mol
LogP3.02
Rot. Bonds2

About 2-ethoxyphenoxathiine 10,10-dioxide

2-ethoxyphenoxathiine 10,10-dioxide (PubChem CID 10850054) has the molecular formula C14H12O4S and a molecular weight of 276.31 g/mol. Its IUPAC name is 2-ethoxyphenoxathiine 10,10-dioxide.

Molecular Properties

Compound Name2-ethoxyphenoxathiine 10,10-dioxide
PubChem CID10850054
Molecular FormulaC14H12O4S
Molecular Weight276.31 g/mol
Exact Mass276.05
IUPAC Name2-ethoxyphenoxathiine 10,10-dioxide
SMILESCCOc1ccc2c(c1)S(=O)(=O)c1ccccc1O2
InChIInChI=1S/C14H12O4S/c1-2-17-10-7-8-12-14(9-10)19(15,16)13-6-4-3-5-11(13)18-12/h3-9H,2H2,1H3
InChIKeyQWAUIVMNLJCFFX-UHFFFAOYSA-N
XLogP3.02
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxyphenoxathiine 10,10-dioxide?
The IUPAC name of 2-ethoxyphenoxathiine 10,10-dioxide (CID 10850054) is 2-ethoxyphenoxathiine 10,10-dioxide.
What is the SMILES notation for 2-ethoxyphenoxathiine 10,10-dioxide?
The canonical SMILES for 2-ethoxyphenoxathiine 10,10-dioxide is CCOc1ccc2c(c1)S(=O)(=O)c1ccccc1O2.
What is the InChIKey of 2-ethoxyphenoxathiine 10,10-dioxide?
The InChIKey is QWAUIVMNLJCFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O4S/c1-2-17-10-7-8-12-14(9-10)19(15,16)13-6-4-3-5-11(13)18-12/h3-9H,2H2,1H3.
What are the key properties of 2-ethoxyphenoxathiine 10,10-dioxide?
2-ethoxyphenoxathiine 10,10-dioxide has a molecular weight of 276.31 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyphenoxathiine 10,10-dioxide is sourced from PubChem (CID 10850054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).