2-(2-chlorophenyl)sulfanyl-1-(1H-indol-3-yl)ethanone

C16H12ClNOS — CID 3544684

IUPAC2-(2-chlorophenyl)sulfanyl-1-(1H-indol-3-yl)ethanone
SMILESO=C(CSc1ccccc1Cl)c1c[nH]c2ccccc12
InChIInChI=1S/C16H12ClNOS/c17-13-6-2-4-8-16(13)20-10-15(19)12-9-18-14-7-3-1-5-11(12)14/h1-9,18H,10H2
InChIKeyJNNWFWFHHPCMJZ-UHFFFAOYSA-N
MW301.80 g/mol
LogP4.80
Rot. Bonds4

About 2-(2-chlorophenyl)sulfanyl-1-(1H-indol-3-yl)ethanone

2-(2-chlorophenyl)sulfanyl-1-(1H-indol-3-yl)ethanone (PubChem CID 3544684) has the molecular formula C16H12ClNOS and a molecular weight of 301.80 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-1-(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-1-(1H-indol-3-yl)ethanone
PubChem CID3544684
Molecular FormulaC16H12ClNOS
Molecular Weight301.80 g/mol
Exact Mass301.03
IUPAC Name2-(2-chlorophenyl)sulfanyl-1-(1H-indol-3-yl)ethanone
SMILESO=C(CSc1ccccc1Cl)c1c[nH]c2ccccc12
InChIInChI=1S/C16H12ClNOS/c17-13-6-2-4-8-16(13)20-10-15(19)12-9-18-14-7-3-1-5-11(12)14/h1-9,18H,10H2
InChIKeyJNNWFWFHHPCMJZ-UHFFFAOYSA-N
XLogP4.80
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.80
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-1-(1H-indol-3-yl)propan-1-one
CID 4868392
3-Chloroacetylindole
CID 152961
2-Chloro-1-(1H-indol-3-yl)-2-phenylethan-1-one
CID 3688662
1-(2-methyl-1H-indol-3-yl)-2-(pyridin-2-ylsulfanyl)ethanone
CID 753522
N-[2-(4-chlorophenyl)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 2226536
Mls000737003
CID 5355550
3-Benzoylindole
CID 84845
1-(2-methyl-1H-indol-3-yl)-2-[(4-methylphenyl)thio]ethanone
CID 937563
N-[(2-chlorophenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 2987829
N-(4-chlorobenzyl)-2-(1H-indol-3-yl)-2-oxoacetamide
CID 5304328
N-(4-chlorophenyl)-2-(1H-indol-3-yl)-2-oxoacetamide
CID 6484401
(E)-3-(5-chloro-1H-indol-3-yl)-1-(4-chlorophenyl)-2-[(4-methylphenyl)methylsulfanyl]prop-2-en-1-one
CID 24959650

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-1-(1H-indol-3-yl)ethanone?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-1-(1H-indol-3-yl)ethanone (CID 3544684) is 2-(2-chlorophenyl)sulfanyl-1-(1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-1-(1H-indol-3-yl)ethanone?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-1-(1H-indol-3-yl)ethanone is O=C(CSc1ccccc1Cl)c1c[nH]c2ccccc12.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-1-(1H-indol-3-yl)ethanone?
The InChIKey is JNNWFWFHHPCMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNOS/c17-13-6-2-4-8-16(13)20-10-15(19)12-9-18-14-7-3-1-5-11(12)14/h1-9,18H,10H2.
What are the key properties of 2-(2-chlorophenyl)sulfanyl-1-(1H-indol-3-yl)ethanone?
2-(2-chlorophenyl)sulfanyl-1-(1H-indol-3-yl)ethanone has a molecular weight of 301.80 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-1-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 3544684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).