(4-methylsulfonylphenyl)-thiophen-2-ylmethanone

C12H10O3S2 — CID 21262955

IUPAC(4-methylsulfonylphenyl)-thiophen-2-ylmethanone
SMILESCS(=O)(=O)c1ccc(C(=O)c2cccs2)cc1
InChIInChI=1S/C12H10O3S2/c1-17(14,15)10-6-4-9(5-7-10)12(13)11-3-2-8-16-11/h2-8H,1H3
InChIKeyXYKMPECPWAFYIN-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.38
Rot. Bonds3

About (4-methylsulfonylphenyl)-thiophen-2-ylmethanone

(4-methylsulfonylphenyl)-thiophen-2-ylmethanone (PubChem CID 21262955) has the molecular formula C12H10O3S2 and a molecular weight of 266.34 g/mol. Its IUPAC name is (4-methylsulfonylphenyl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(4-methylsulfonylphenyl)-thiophen-2-ylmethanone
PubChem CID21262955
Molecular FormulaC12H10O3S2
Molecular Weight266.34 g/mol
Exact Mass266.01
IUPAC Name(4-methylsulfonylphenyl)-thiophen-2-ylmethanone
SMILESCS(=O)(=O)c1ccc(C(=O)c2cccs2)cc1
InChIInChI=1S/C12H10O3S2/c1-17(14,15)10-6-4-9(5-7-10)12(13)11-3-2-8-16-11/h2-8H,1H3
InChIKeyXYKMPECPWAFYIN-UHFFFAOYSA-N
XLogP2.38
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methylsulfonylphenyl)-thiophen-2-ylmethanone?
The IUPAC name of (4-methylsulfonylphenyl)-thiophen-2-ylmethanone (CID 21262955) is (4-methylsulfonylphenyl)-thiophen-2-ylmethanone.
What is the SMILES notation for (4-methylsulfonylphenyl)-thiophen-2-ylmethanone?
The canonical SMILES for (4-methylsulfonylphenyl)-thiophen-2-ylmethanone is CS(=O)(=O)c1ccc(C(=O)c2cccs2)cc1.
What is the InChIKey of (4-methylsulfonylphenyl)-thiophen-2-ylmethanone?
The InChIKey is XYKMPECPWAFYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O3S2/c1-17(14,15)10-6-4-9(5-7-10)12(13)11-3-2-8-16-11/h2-8H,1H3.
What are the key properties of (4-methylsulfonylphenyl)-thiophen-2-ylmethanone?
(4-methylsulfonylphenyl)-thiophen-2-ylmethanone has a molecular weight of 266.34 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylsulfonylphenyl)-thiophen-2-ylmethanone is sourced from PubChem (CID 21262955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).