4-(4-methoxyphenyl)sulfonyl-1,1-dioxothiolan-3-ol

C11H14O6S2 — CID 2740376

IUPAC4-(4-methoxyphenyl)sulfonyl-1,1-dioxothiolan-3-ol
SMILESCOc1ccc(S(=O)(=O)C2CS(=O)(=O)CC2O)cc1
InChIInChI=1S/C11H14O6S2/c1-17-8-2-4-9(5-3-8)19(15,16)11-7-18(13,14)6-10(11)12/h2-5,10-12H,6-7H2,1H3
InChIKeyINKRGVINKHLPMY-UHFFFAOYSA-N
MW306.36 g/mol
LogP-0.37
Rot. Bonds3

About 4-(4-methoxyphenyl)sulfonyl-1,1-dioxothiolan-3-ol

4-(4-methoxyphenyl)sulfonyl-1,1-dioxothiolan-3-ol (PubChem CID 2740376) has the molecular formula C11H14O6S2 and a molecular weight of 306.36 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)sulfonyl-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name4-(4-methoxyphenyl)sulfonyl-1,1-dioxothiolan-3-ol
PubChem CID2740376
Molecular FormulaC11H14O6S2
Molecular Weight306.36 g/mol
Exact Mass306.02
IUPAC Name4-(4-methoxyphenyl)sulfonyl-1,1-dioxothiolan-3-ol
SMILESCOc1ccc(S(=O)(=O)C2CS(=O)(=O)CC2O)cc1
InChIInChI=1S/C11H14O6S2/c1-17-8-2-4-9(5-3-8)19(15,16)11-7-18(13,14)6-10(11)12/h2-5,10-12H,6-7H2,1H3
InChIKeyINKRGVINKHLPMY-UHFFFAOYSA-N
XLogP-0.37
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)sulfonyl-1,1-dioxothiolan-3-ol?
The IUPAC name of 4-(4-methoxyphenyl)sulfonyl-1,1-dioxothiolan-3-ol (CID 2740376) is 4-(4-methoxyphenyl)sulfonyl-1,1-dioxothiolan-3-ol.
What is the SMILES notation for 4-(4-methoxyphenyl)sulfonyl-1,1-dioxothiolan-3-ol?
The canonical SMILES for 4-(4-methoxyphenyl)sulfonyl-1,1-dioxothiolan-3-ol is COc1ccc(S(=O)(=O)C2CS(=O)(=O)CC2O)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)sulfonyl-1,1-dioxothiolan-3-ol?
The InChIKey is INKRGVINKHLPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O6S2/c1-17-8-2-4-9(5-3-8)19(15,16)11-7-18(13,14)6-10(11)12/h2-5,10-12H,6-7H2,1H3.
What are the key properties of 4-(4-methoxyphenyl)sulfonyl-1,1-dioxothiolan-3-ol?
4-(4-methoxyphenyl)sulfonyl-1,1-dioxothiolan-3-ol has a molecular weight of 306.36 g/mol, XLogP of -0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)sulfonyl-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 2740376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).