5-methyl-3-(4-methylphenyl)sulfonyl-2-thiophen-2-ylfuran

C16H14O3S2 — CID 14196383

IUPAC5-methyl-3-(4-methylphenyl)sulfonyl-2-thiophen-2-ylfuran
SMILESCc1ccc(S(=O)(=O)c2cc(C)oc2-c2cccs2)cc1
InChIInChI=1S/C16H14O3S2/c1-11-5-7-13(8-6-11)21(17,18)15-10-12(2)19-16(15)14-4-3-9-20-14/h3-10H,1-2H3
InChIKeyGQYRCZKSORIZKB-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.46
Rot. Bonds3

About 5-methyl-3-(4-methylphenyl)sulfonyl-2-thiophen-2-ylfuran

5-methyl-3-(4-methylphenyl)sulfonyl-2-thiophen-2-ylfuran (PubChem CID 14196383) has the molecular formula C16H14O3S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 5-methyl-3-(4-methylphenyl)sulfonyl-2-thiophen-2-ylfuran.

Molecular Properties

Compound Name5-methyl-3-(4-methylphenyl)sulfonyl-2-thiophen-2-ylfuran
PubChem CID14196383
Molecular FormulaC16H14O3S2
Molecular Weight318.42 g/mol
Exact Mass318.04
IUPAC Name5-methyl-3-(4-methylphenyl)sulfonyl-2-thiophen-2-ylfuran
SMILESCc1ccc(S(=O)(=O)c2cc(C)oc2-c2cccs2)cc1
InChIInChI=1S/C16H14O3S2/c1-11-5-7-13(8-6-11)21(17,18)15-10-12(2)19-16(15)14-4-3-9-20-14/h3-10H,1-2H3
InChIKeyGQYRCZKSORIZKB-UHFFFAOYSA-N
XLogP4.46
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(4-methylphenyl)sulfonyl-2-thiophen-2-ylfuran?
The IUPAC name of 5-methyl-3-(4-methylphenyl)sulfonyl-2-thiophen-2-ylfuran (CID 14196383) is 5-methyl-3-(4-methylphenyl)sulfonyl-2-thiophen-2-ylfuran.
What is the SMILES notation for 5-methyl-3-(4-methylphenyl)sulfonyl-2-thiophen-2-ylfuran?
The canonical SMILES for 5-methyl-3-(4-methylphenyl)sulfonyl-2-thiophen-2-ylfuran is Cc1ccc(S(=O)(=O)c2cc(C)oc2-c2cccs2)cc1.
What is the InChIKey of 5-methyl-3-(4-methylphenyl)sulfonyl-2-thiophen-2-ylfuran?
The InChIKey is GQYRCZKSORIZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3S2/c1-11-5-7-13(8-6-11)21(17,18)15-10-12(2)19-16(15)14-4-3-9-20-14/h3-10H,1-2H3.
What are the key properties of 5-methyl-3-(4-methylphenyl)sulfonyl-2-thiophen-2-ylfuran?
5-methyl-3-(4-methylphenyl)sulfonyl-2-thiophen-2-ylfuran has a molecular weight of 318.42 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(4-methylphenyl)sulfonyl-2-thiophen-2-ylfuran is sourced from PubChem (CID 14196383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).