2-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)sulfonyl]phenol

C14H12O5S2 — CID 22091946

IUPAC2-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)sulfonyl]phenol
SMILESO=S1(=O)CC(S(=O)(=O)c2ccccc2O)c2ccccc21
InChIInChI=1S/C14H12O5S2/c15-11-6-2-4-8-13(11)21(18,19)14-9-20(16,17)12-7-3-1-5-10(12)14/h1-8,14-15H,9H2
InChIKeyIWSQGFCKDGBQQF-UHFFFAOYSA-N
MW324.38 g/mol
LogP1.69
Rot. Bonds2

About 2-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)sulfonyl]phenol

2-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)sulfonyl]phenol (PubChem CID 22091946) has the molecular formula C14H12O5S2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)sulfonyl]phenol.

Molecular Properties

Compound Name2-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)sulfonyl]phenol
PubChem CID22091946
Molecular FormulaC14H12O5S2
Molecular Weight324.38 g/mol
Exact Mass324.01
IUPAC Name2-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)sulfonyl]phenol
SMILESO=S1(=O)CC(S(=O)(=O)c2ccccc2O)c2ccccc21
InChIInChI=1S/C14H12O5S2/c15-11-6-2-4-8-13(11)21(18,19)14-9-20(16,17)12-7-3-1-5-10(12)14/h1-8,14-15H,9H2
InChIKeyIWSQGFCKDGBQQF-UHFFFAOYSA-N
XLogP1.69
TPSA88.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)sulfonyl]phenol?
The IUPAC name of 2-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)sulfonyl]phenol (CID 22091946) is 2-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)sulfonyl]phenol.
What is the SMILES notation for 2-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)sulfonyl]phenol?
The canonical SMILES for 2-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)sulfonyl]phenol is O=S1(=O)CC(S(=O)(=O)c2ccccc2O)c2ccccc21.
What is the InChIKey of 2-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)sulfonyl]phenol?
The InChIKey is IWSQGFCKDGBQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O5S2/c15-11-6-2-4-8-13(11)21(18,19)14-9-20(16,17)12-7-3-1-5-10(12)14/h1-8,14-15H,9H2.
What are the key properties of 2-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)sulfonyl]phenol?
2-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)sulfonyl]phenol has a molecular weight of 324.38 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)sulfonyl]phenol is sourced from PubChem (CID 22091946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).