1-benzothiophen-3-yl-(5-fluoro-1H-indol-3-yl)methanone

C17H10FNOS — CID 63841276

IUPAC1-benzothiophen-3-yl-(5-fluoro-1H-indol-3-yl)methanone
SMILESO=C(c1c[nH]c2ccc(F)cc12)c1csc2ccccc12
InChIInChI=1S/C17H10FNOS/c18-10-5-6-15-12(7-10)13(8-19-15)17(20)14-9-21-16-4-2-1-3-11(14)16/h1-9,19H
InChIKeyMKSONVVAVVLBNZ-UHFFFAOYSA-N
MW295.34 g/mol
LogP4.75
Rot. Bonds2

About 1-benzothiophen-3-yl-(5-fluoro-1H-indol-3-yl)methanone

1-benzothiophen-3-yl-(5-fluoro-1H-indol-3-yl)methanone (PubChem CID 63841276) has the molecular formula C17H10FNOS and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-benzothiophen-3-yl-(5-fluoro-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name1-benzothiophen-3-yl-(5-fluoro-1H-indol-3-yl)methanone
PubChem CID63841276
Molecular FormulaC17H10FNOS
Molecular Weight295.34 g/mol
Exact Mass295.05
IUPAC Name1-benzothiophen-3-yl-(5-fluoro-1H-indol-3-yl)methanone
SMILESO=C(c1c[nH]c2ccc(F)cc12)c1csc2ccccc12
InChIInChI=1S/C17H10FNOS/c18-10-5-6-15-12(7-10)13(8-19-15)17(20)14-9-21-16-4-2-1-3-11(14)16/h1-9,19H
InChIKeyMKSONVVAVVLBNZ-UHFFFAOYSA-N
XLogP4.75
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzothiophen-3-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 102626680
(3-chloro-2-fluorophenyl)-(5-fluoro-1H-indol-3-yl)methanone
CID 81267214
(3-bromo-2-fluorophenyl)-(5-fluoro-1H-indol-3-yl)methanone
CID 107949884
(2,5-dichlorothiophen-3-yl)-(5-fluoro-1H-indol-3-yl)methanone
CID 107960033
[5-(1-benzothiophene-3-carbonyl)-1H-imidazol-2-yl]-(1H-indol-3-yl)methanone
CID 102213214
5-fluoro-1H-indole-3-carbonyl iodide
CID 166942307
(3-chlorophenyl)-(5-fluoro-1H-indol-3-yl)methanone
CID 53414472
(5-fluoro-1H-indol-3-yl)-(2-methylfuran-3-yl)methanone
CID 63850617
(5-bromothiophen-2-yl)-(5-fluoro-1H-indol-3-yl)methanone
CID 63839820
1-benzothiophen-3-yl-(3-fluoro-5-methylphenyl)methanone
CID 113395873
(2-bromo-5-methylphenyl)-(5-fluoro-1H-indol-3-yl)methanone
CID 81109626
2-chloro-1-(5-fluoro-1H-indol-3-yl)ethanone
CID 931809

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-yl-(5-fluoro-1H-indol-3-yl)methanone?
The IUPAC name of 1-benzothiophen-3-yl-(5-fluoro-1H-indol-3-yl)methanone (CID 63841276) is 1-benzothiophen-3-yl-(5-fluoro-1H-indol-3-yl)methanone.
What is the SMILES notation for 1-benzothiophen-3-yl-(5-fluoro-1H-indol-3-yl)methanone?
The canonical SMILES for 1-benzothiophen-3-yl-(5-fluoro-1H-indol-3-yl)methanone is O=C(c1c[nH]c2ccc(F)cc12)c1csc2ccccc12.
What is the InChIKey of 1-benzothiophen-3-yl-(5-fluoro-1H-indol-3-yl)methanone?
The InChIKey is MKSONVVAVVLBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10FNOS/c18-10-5-6-15-12(7-10)13(8-19-15)17(20)14-9-21-16-4-2-1-3-11(14)16/h1-9,19H.
What are the key properties of 1-benzothiophen-3-yl-(5-fluoro-1H-indol-3-yl)methanone?
1-benzothiophen-3-yl-(5-fluoro-1H-indol-3-yl)methanone has a molecular weight of 295.34 g/mol, XLogP of 4.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-3-yl-(5-fluoro-1H-indol-3-yl)methanone is sourced from PubChem (CID 63841276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).