2-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-(furan-2-yl)ethanone

C15H14O4S — CID 64642000

IUPAC2-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-(furan-2-yl)ethanone
SMILESO=C(CS(=O)(=O)c1ccc2c(c1)CCC2)c1ccco1
InChIInChI=1S/C15H14O4S/c16-14(15-5-2-8-19-15)10-20(17,18)13-7-6-11-3-1-4-12(11)9-13/h2,5-9H,1,3-4,10H2
InChIKeyQJHNNVMJOCZLCY-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.42
Rot. Bonds4

About 2-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-(furan-2-yl)ethanone

2-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-(furan-2-yl)ethanone (PubChem CID 64642000) has the molecular formula C15H14O4S and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-(furan-2-yl)ethanone.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-(furan-2-yl)ethanone
PubChem CID64642000
Molecular FormulaC15H14O4S
Molecular Weight290.34 g/mol
Exact Mass290.06
IUPAC Name2-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-(furan-2-yl)ethanone
SMILESO=C(CS(=O)(=O)c1ccc2c(c1)CCC2)c1ccco1
InChIInChI=1S/C15H14O4S/c16-14(15-5-2-8-19-15)10-20(17,18)13-7-6-11-3-1-4-12(11)9-13/h2,5-9H,1,3-4,10H2
InChIKeyQJHNNVMJOCZLCY-UHFFFAOYSA-N
XLogP2.42
TPSA64.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yloxy)-1-(furan-2-yl)ethanone
CID 43411851
2-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-thiophen-2-ylethanone
CID 64642953
1-(furan-2-yl)-2-[4-(trifluoromethyl)phenyl]sulfonylethanone
CID 106584717
2-(2-fluorophenyl)sulfonyl-1-(furan-2-yl)ethanone
CID 64642534
5-(2,3-dihydro-1H-inden-5-ylsulfonyl)pentan-2-one
CID 64642185
methyl 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanoate
CID 43330679
6-(2,3-dihydro-1H-inden-5-ylsulfonyl)hexan-2-one
CID 64641999
3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]propanamide
CID 86893409
2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 110294059
N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 30660804
3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2,2-dimethylpropan-1-ol
CID 116853101
1-(furan-2-yl)-2-(3-methylbutan-2-ylsulfonyl)ethanone
CID 107767579

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-(furan-2-yl)ethanone?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-(furan-2-yl)ethanone (CID 64642000) is 2-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-(furan-2-yl)ethanone.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-(furan-2-yl)ethanone?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-(furan-2-yl)ethanone is O=C(CS(=O)(=O)c1ccc2c(c1)CCC2)c1ccco1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-(furan-2-yl)ethanone?
The InChIKey is QJHNNVMJOCZLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4S/c16-14(15-5-2-8-19-15)10-20(17,18)13-7-6-11-3-1-4-12(11)9-13/h2,5-9H,1,3-4,10H2.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-(furan-2-yl)ethanone?
2-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-(furan-2-yl)ethanone has a molecular weight of 290.34 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-(furan-2-yl)ethanone is sourced from PubChem (CID 64642000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).