3-(4-methylphenyl)sulfonylthiophene

C11H10O2S2 — CID 11459060

IUPAC3-(4-methylphenyl)sulfonylthiophene
SMILESCc1ccc(S(=O)(=O)c2ccsc2)cc1
InChIInChI=1S/C11H10O2S2/c1-9-2-4-10(5-3-9)15(12,13)11-6-7-14-8-11/h2-8H,1H3
InChIKeyYNOFYNHLAOMSIG-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.89
Rot. Bonds2

About 3-(4-methylphenyl)sulfonylthiophene

3-(4-methylphenyl)sulfonylthiophene (PubChem CID 11459060) has the molecular formula C11H10O2S2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-(4-methylphenyl)sulfonylthiophene.

Molecular Properties

Compound Name3-(4-methylphenyl)sulfonylthiophene
PubChem CID11459060
Molecular FormulaC11H10O2S2
Molecular Weight238.33 g/mol
Exact Mass238.01
IUPAC Name3-(4-methylphenyl)sulfonylthiophene
SMILESCc1ccc(S(=O)(=O)c2ccsc2)cc1
InChIInChI=1S/C11H10O2S2/c1-9-2-4-10(5-3-9)15(12,13)11-6-7-14-8-11/h2-8H,1H3
InChIKeyYNOFYNHLAOMSIG-UHFFFAOYSA-N
XLogP2.89
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Benzene, 1-methyl-4-(phenylsulfonyl)-
CID 69497
Benzene, 1,1'-sulfonylbis(4-methyl-
CID 69030
4-Methyl-N-[2-(thiophen-2-yl)ethyl]benzene-1-sulfonamide
CID 711102
Sulfone, allyl p-tolyl
CID 96276
1-(Ethylsulfonyl)-4-methylbenzene
CID 97651
P-Tolyl vinyl sulfone
CID 79665
p-Tolyl methyl sulfone
CID 18521
2-Phenylthiophene
CID 69999
(E)-4-(2-(thiophen-3-yl)vinyl)benzenesulfonamide
CID 50908699
(E)-3-(4-(methylsulfonyl)styryl)thiophene
CID 52949357
2-(4-Fluorophenyl)-3-(4-methylsulfonylphenyl)thiophene
CID 10336873
2-Thiopheneethanol tosylate
CID 3682034

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)sulfonylthiophene?
The IUPAC name of 3-(4-methylphenyl)sulfonylthiophene (CID 11459060) is 3-(4-methylphenyl)sulfonylthiophene.
What is the SMILES notation for 3-(4-methylphenyl)sulfonylthiophene?
The canonical SMILES for 3-(4-methylphenyl)sulfonylthiophene is Cc1ccc(S(=O)(=O)c2ccsc2)cc1.
What is the InChIKey of 3-(4-methylphenyl)sulfonylthiophene?
The InChIKey is YNOFYNHLAOMSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2S2/c1-9-2-4-10(5-3-9)15(12,13)11-6-7-14-8-11/h2-8H,1H3.
What are the key properties of 3-(4-methylphenyl)sulfonylthiophene?
3-(4-methylphenyl)sulfonylthiophene has a molecular weight of 238.33 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)sulfonylthiophene is sourced from PubChem (CID 11459060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).