4-(benzenesulfonylmethyl)-2-ethylfuran

C13H14O3S — CID 54753211

IUPAC4-(benzenesulfonylmethyl)-2-ethylfuran
SMILESCCc1cc(CS(=O)(=O)c2ccccc2)co1
InChIInChI=1S/C13H14O3S/c1-2-12-8-11(9-16-12)10-17(14,15)13-6-4-3-5-7-13/h3-9H,2,10H2,1H3
InChIKeyYQFXPCYLYOZLFQ-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.82
Rot. Bonds4

About 4-(benzenesulfonylmethyl)-2-ethylfuran

4-(benzenesulfonylmethyl)-2-ethylfuran (PubChem CID 54753211) has the molecular formula C13H14O3S and a molecular weight of 250.32 g/mol. Its IUPAC name is 4-(benzenesulfonylmethyl)-2-ethylfuran.

Molecular Properties

Compound Name4-(benzenesulfonylmethyl)-2-ethylfuran
PubChem CID54753211
Molecular FormulaC13H14O3S
Molecular Weight250.32 g/mol
Exact Mass250.07
IUPAC Name4-(benzenesulfonylmethyl)-2-ethylfuran
SMILESCCc1cc(CS(=O)(=O)c2ccccc2)co1
InChIInChI=1S/C13H14O3S/c1-2-12-8-11(9-16-12)10-17(14,15)13-6-4-3-5-7-13/h3-9H,2,10H2,1H3
InChIKeyYQFXPCYLYOZLFQ-UHFFFAOYSA-N
XLogP2.82
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(benzenesulfonylmethyl)-1,2-dichlorobenzene
CID 10968615
1-(benzenesulfonylmethyl)-3-methoxybenzene;ethane
CID 176977930
1-ethyl-3-[[4-(4-methylphenyl)phenyl]sulfonylmethyl]benzene
CID 157421364
1-[4-(benzenesulfonylmethyl)phenyl]propan-2-ol
CID 174823491
3-(benzenesulfonylmethyl)thiophene
CID 14632150
3-(benzenesulfonylmethyl)-5-methoxyaniline
CID 81155112
4-(benzenesulfonylmethyl)-1-bromo-2-methoxybenzene
CID 141296183
5-[3-(benzenesulfonylmethyl)phenyl]-4-tert-butyl-3,3-dimethyl-2H-furan
CID 102244792
4-(benzenesulfonylmethyl)-3-ethylpyridine
CID 10422775
4-benzylsulfonyl-2-methylaniline
CID 81182009
5-[(3-methylphenyl)sulfonylmethyl]furan-3-carboxylic acid
CID 55053756
4-(benzenesulfonylmethyl)pyridazine
CID 15356776

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonylmethyl)-2-ethylfuran?
The IUPAC name of 4-(benzenesulfonylmethyl)-2-ethylfuran (CID 54753211) is 4-(benzenesulfonylmethyl)-2-ethylfuran.
What is the SMILES notation for 4-(benzenesulfonylmethyl)-2-ethylfuran?
The canonical SMILES for 4-(benzenesulfonylmethyl)-2-ethylfuran is CCc1cc(CS(=O)(=O)c2ccccc2)co1.
What is the InChIKey of 4-(benzenesulfonylmethyl)-2-ethylfuran?
The InChIKey is YQFXPCYLYOZLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O3S/c1-2-12-8-11(9-16-12)10-17(14,15)13-6-4-3-5-7-13/h3-9H,2,10H2,1H3.
What are the key properties of 4-(benzenesulfonylmethyl)-2-ethylfuran?
4-(benzenesulfonylmethyl)-2-ethylfuran has a molecular weight of 250.32 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonylmethyl)-2-ethylfuran is sourced from PubChem (CID 54753211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).