1-(1-benzofuran-2-yl)-2-(3-chlorophenyl)sulfanylethanone

C16H11ClO2S — CID 62646826

IUPAC1-(1-benzofuran-2-yl)-2-(3-chlorophenyl)sulfanylethanone
SMILESO=C(CSc1cccc(Cl)c1)c1cc2ccccc2o1
InChIInChI=1S/C16H11ClO2S/c17-12-5-3-6-13(9-12)20-10-14(18)16-8-11-4-1-2-7-15(11)19-16/h1-9H,10H2
InChIKeyZEXLSGABWLFWLH-UHFFFAOYSA-N
MW302.78 g/mol
LogP5.06
Rot. Bonds4

About 1-(1-benzofuran-2-yl)-2-(3-chlorophenyl)sulfanylethanone

1-(1-benzofuran-2-yl)-2-(3-chlorophenyl)sulfanylethanone (PubChem CID 62646826) has the molecular formula C16H11ClO2S and a molecular weight of 302.78 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-(3-chlorophenyl)sulfanylethanone.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-(3-chlorophenyl)sulfanylethanone
PubChem CID62646826
Molecular FormulaC16H11ClO2S
Molecular Weight302.78 g/mol
Exact Mass302.02
IUPAC Name1-(1-benzofuran-2-yl)-2-(3-chlorophenyl)sulfanylethanone
SMILESO=C(CSc1cccc(Cl)c1)c1cc2ccccc2o1
InChIInChI=1S/C16H11ClO2S/c17-12-5-3-6-13(9-12)20-10-14(18)16-8-11-4-1-2-7-15(11)19-16/h1-9H,10H2
InChIKeyZEXLSGABWLFWLH-UHFFFAOYSA-N
XLogP5.06
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.78
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzofuran-2-yl)-2-(3-methylphenyl)sulfanylethanone
CID 61243446
1-(1-benzofuran-2-yl)-2-(3-chlorophenyl)ethanone
CID 55083649
2-(3-chlorophenyl)sulfanylacetamide
CID 62647381
2-(2-bromophenyl)sulfanyl-1-(5-chloro-1-benzofuran-2-yl)ethanone
CID 115574602
1-(3-chlorophenyl)-2-naphthalen-2-ylsulfanylethanone
CID 43411868
1-(1-benzofuran-2-yl)-2-(2,3-dichlorophenyl)ethanone
CID 107307868
3-amino-1-(1-benzofuran-2-yl)propan-1-one
CID 82275110
1-(1-benzofuran-2-yl)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 7682773
2-(1H-benzimidazol-2-ylsulfanyl)-1-(1-benzofuran-2-yl)ethanone
CID 2335628
1-(1-benzofuran-2-yl)-2-(3,5-dichlorophenoxy)ethanone
CID 60623980
1-(7-fluoro-1-benzofuran-2-yl)-2-(3-fluorophenyl)sulfanylethanone
CID 114725527
2-(3-chlorophenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone
CID 63406943

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-(3-chlorophenyl)sulfanylethanone?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-(3-chlorophenyl)sulfanylethanone (CID 62646826) is 1-(1-benzofuran-2-yl)-2-(3-chlorophenyl)sulfanylethanone.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-(3-chlorophenyl)sulfanylethanone?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-(3-chlorophenyl)sulfanylethanone is O=C(CSc1cccc(Cl)c1)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-(3-chlorophenyl)sulfanylethanone?
The InChIKey is ZEXLSGABWLFWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClO2S/c17-12-5-3-6-13(9-12)20-10-14(18)16-8-11-4-1-2-7-15(11)19-16/h1-9H,10H2.
What are the key properties of 1-(1-benzofuran-2-yl)-2-(3-chlorophenyl)sulfanylethanone?
1-(1-benzofuran-2-yl)-2-(3-chlorophenyl)sulfanylethanone has a molecular weight of 302.78 g/mol, XLogP of 5.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-2-(3-chlorophenyl)sulfanylethanone is sourced from PubChem (CID 62646826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).