2-(4-methoxyphenyl)sulfonylthiophene

C11H10O3S2 — CID 804421

IUPAC2-(4-methoxyphenyl)sulfonylthiophene
SMILESCOc1ccc(S(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C11H10O3S2/c1-14-9-4-6-10(7-5-9)16(12,13)11-3-2-8-15-11/h2-8H,1H3
InChIKeyAIQLYEJTMVINJX-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.59
Rot. Bonds3

About 2-(4-methoxyphenyl)sulfonylthiophene

2-(4-methoxyphenyl)sulfonylthiophene (PubChem CID 804421) has the molecular formula C11H10O3S2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)sulfonylthiophene.

Molecular Properties

Compound Name2-(4-methoxyphenyl)sulfonylthiophene
PubChem CID804421
Molecular FormulaC11H10O3S2
Molecular Weight254.33 g/mol
Exact Mass254.01
IUPAC Name2-(4-methoxyphenyl)sulfonylthiophene
SMILESCOc1ccc(S(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C11H10O3S2/c1-14-9-4-6-10(7-5-9)16(12,13)11-3-2-8-15-11/h2-8H,1H3
InChIKeyAIQLYEJTMVINJX-UHFFFAOYSA-N
XLogP2.59
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)sulfonylthiophene?
The IUPAC name of 2-(4-methoxyphenyl)sulfonylthiophene (CID 804421) is 2-(4-methoxyphenyl)sulfonylthiophene.
What is the SMILES notation for 2-(4-methoxyphenyl)sulfonylthiophene?
The canonical SMILES for 2-(4-methoxyphenyl)sulfonylthiophene is COc1ccc(S(=O)(=O)c2cccs2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)sulfonylthiophene?
The InChIKey is AIQLYEJTMVINJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3S2/c1-14-9-4-6-10(7-5-9)16(12,13)11-3-2-8-15-11/h2-8H,1H3.
What are the key properties of 2-(4-methoxyphenyl)sulfonylthiophene?
2-(4-methoxyphenyl)sulfonylthiophene has a molecular weight of 254.33 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)sulfonylthiophene is sourced from PubChem (CID 804421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).