2-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-thiophen-2-ylethanone

C15H14O3S2 — CID 64642953

IUPAC2-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-thiophen-2-ylethanone
SMILESO=C(CS(=O)(=O)c1ccc2c(c1)CCC2)c1cccs1
InChIInChI=1S/C15H14O3S2/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
InChIKeyXJGFITNDZLYBQB-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.89
Rot. Bonds4

About 2-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-thiophen-2-ylethanone

2-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-thiophen-2-ylethanone (PubChem CID 64642953) has the molecular formula C15H14O3S2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-thiophen-2-ylethanone
PubChem CID64642953
Molecular FormulaC15H14O3S2
Molecular Weight306.41 g/mol
Exact Mass306.04
IUPAC Name2-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-thiophen-2-ylethanone
SMILESO=C(CS(=O)(=O)c1ccc2c(c1)CCC2)c1cccs1
InChIInChI=1S/C15H14O3S2/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
InChIKeyXJGFITNDZLYBQB-UHFFFAOYSA-N
XLogP2.89
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yloxy)-1-thiophen-2-ylethanone
CID 43411849
2-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-(furan-2-yl)ethanone
CID 64642000
methyl 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanoate
CID 43330679
4-(2,3-dihydro-1H-inden-5-ylsulfinyl)-1-thiophen-2-ylbutan-1-one
CID 64638484
N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 121131811
2-methylsulfonyl-1-thiophen-2-ylethanone
CID 4253076
N-(2-hydroxy-2-thiophen-2-ylethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110663311
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide
CID 55798758
2-(2,5-dichlorophenyl)sulfonyl-1-thiophen-2-ylethanone
CID 64643112
N'-[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]thiophene-2-carbohydrazide
CID 9479209
(7-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-thiophen-2-ylmethanone
CID 51106151
N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 27555251

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-thiophen-2-ylethanone?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-thiophen-2-ylethanone (CID 64642953) is 2-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-thiophen-2-ylethanone?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-thiophen-2-ylethanone is O=C(CS(=O)(=O)c1ccc2c(c1)CCC2)c1cccs1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-thiophen-2-ylethanone?
The InChIKey is XJGFITNDZLYBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3S2/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-thiophen-2-ylethanone?
2-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-thiophen-2-ylethanone has a molecular weight of 306.41 g/mol, XLogP of 2.89, 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-thiophen-2-ylethanone is sourced from PubChem (CID 64642953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).