2-(3-chloroindol-1-yl)-1-(4-methylsulfanylphenyl)ethanone

C17H14ClNOS — CID 63566698

IUPAC2-(3-chloroindol-1-yl)-1-(4-methylsulfanylphenyl)ethanone
SMILESCSc1ccc(C(=O)Cn2cc(Cl)c3ccccc32)cc1
InChIInChI=1S/C17H14ClNOS/c1-21-13-8-6-12(7-9-13)17(20)11-19-10-15(18)14-4-2-3-5-16(14)19/h2-10H,11H2,1H3
InChIKeyGFWHLMSDPOBKFI-UHFFFAOYSA-N
MW315.83 g/mol
LogP4.90
Rot. Bonds4

About 2-(3-chloroindol-1-yl)-1-(4-methylsulfanylphenyl)ethanone

2-(3-chloroindol-1-yl)-1-(4-methylsulfanylphenyl)ethanone (PubChem CID 63566698) has the molecular formula C17H14ClNOS and a molecular weight of 315.83 g/mol. Its IUPAC name is 2-(3-chloroindol-1-yl)-1-(4-methylsulfanylphenyl)ethanone.

Molecular Properties

Compound Name2-(3-chloroindol-1-yl)-1-(4-methylsulfanylphenyl)ethanone
PubChem CID63566698
Molecular FormulaC17H14ClNOS
Molecular Weight315.83 g/mol
Exact Mass315.05
IUPAC Name2-(3-chloroindol-1-yl)-1-(4-methylsulfanylphenyl)ethanone
SMILESCSc1ccc(C(=O)Cn2cc(Cl)c3ccccc32)cc1
InChIInChI=1S/C17H14ClNOS/c1-21-13-8-6-12(7-9-13)17(20)11-19-10-15(18)14-4-2-3-5-16(14)19/h2-10H,11H2,1H3
InChIKeyGFWHLMSDPOBKFI-UHFFFAOYSA-N
XLogP4.90
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.83
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(3-chloroindol-1-yl)acetate
CID 62805557
2-(3-chloroindol-1-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 62804114
1-[2-(4-methylphenyl)-2-oxoethyl]indole-3-carbaldehyde
CID 176509047
2-(2-methylindol-1-yl)-1-(4-methylsulfanylphenyl)ethanone
CID 62024292
3-bromo-1-[2-(4-methylsulfanylphenyl)-2-oxoethyl]pyridin-2-one
CID 114760678
2-(1,3-dihydroisoindol-2-yl)-1-(4-methylsulfanylphenyl)ethanone
CID 62206768
2-(3-chloroindol-1-yl)-1-cyclopentylethanone
CID 104751384
1-(4-methylsulfanylphenyl)-2-phenylsulfanylethanone
CID 43413317
2-(3-methylsulfanylindol-1-yl)acetamide
CID 165122763
1-(2,5-dichlorophenyl)-2-(3-methylindol-1-yl)ethanone
CID 63568121
3-chloro-1-(2-methylpropyl)indole
CID 174585966
1-[2-(3-chloro-4-ethoxyphenyl)-2-oxoethyl]-4-oxoquinoline-3-carboxylic acid
CID 155322926

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroindol-1-yl)-1-(4-methylsulfanylphenyl)ethanone?
The IUPAC name of 2-(3-chloroindol-1-yl)-1-(4-methylsulfanylphenyl)ethanone (CID 63566698) is 2-(3-chloroindol-1-yl)-1-(4-methylsulfanylphenyl)ethanone.
What is the SMILES notation for 2-(3-chloroindol-1-yl)-1-(4-methylsulfanylphenyl)ethanone?
The canonical SMILES for 2-(3-chloroindol-1-yl)-1-(4-methylsulfanylphenyl)ethanone is CSc1ccc(C(=O)Cn2cc(Cl)c3ccccc32)cc1.
What is the InChIKey of 2-(3-chloroindol-1-yl)-1-(4-methylsulfanylphenyl)ethanone?
The InChIKey is GFWHLMSDPOBKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNOS/c1-21-13-8-6-12(7-9-13)17(20)11-19-10-15(18)14-4-2-3-5-16(14)19/h2-10H,11H2,1H3.
What are the key properties of 2-(3-chloroindol-1-yl)-1-(4-methylsulfanylphenyl)ethanone?
2-(3-chloroindol-1-yl)-1-(4-methylsulfanylphenyl)ethanone has a molecular weight of 315.83 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroindol-1-yl)-1-(4-methylsulfanylphenyl)ethanone is sourced from PubChem (CID 63566698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).