2-(2-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone

C16H14ClNOS — CID 2382799

IUPAC2-(2-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone
SMILESO=C(CSc1ccccc1Cl)N1CCc2ccccc21
InChIInChI=1S/C16H14ClNOS/c17-13-6-2-4-8-15(13)20-11-16(19)18-10-9-12-5-1-3-7-14(12)18/h1-8H,9-11H2
InChIKeyMGEVTQZBYOODES-UHFFFAOYSA-N
MW303.81 g/mol
LogP4.02
Rot. Bonds3

About 2-(2-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone

2-(2-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone (PubChem CID 2382799) has the molecular formula C16H14ClNOS and a molecular weight of 303.81 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone
PubChem CID2382799
Molecular FormulaC16H14ClNOS
Molecular Weight303.81 g/mol
Exact Mass303.05
IUPAC Name2-(2-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone
SMILESO=C(CSc1ccccc1Cl)N1CCc2ccccc21
InChIInChI=1S/C16H14ClNOS/c17-13-6-2-4-8-15(13)20-11-16(19)18-10-9-12-5-1-3-7-14(12)18/h1-8H,9-11H2
InChIKeyMGEVTQZBYOODES-UHFFFAOYSA-N
XLogP4.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-amino-2-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone
CID 43305239
2-(4-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone
CID 738382
2-benzhydrylsulfanyl-1-(2,3-dihydroindol-1-yl)ethanone
CID 18275650
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
2-(2-chlorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 2341550
2-(2-chlorophenoxy)-1-(2,3-dihydroindol-1-yl)ethanone
CID 823401
3-(4-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 17257492
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2,6-dichlorobenzoate
CID 2467912
2-chloro-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]benzamide
CID 2430048
2-chloro-N-[(1S)-3-(2,3-dihydroindol-1-yl)-3-oxo-1-phenylpropyl]benzamide
CID 2115437
2-(2,3-dihydroindol-1-yl)-2-oxoethanesulfonyl chloride
CID 99980595

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone (CID 2382799) is 2-(2-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone is O=C(CSc1ccccc1Cl)N1CCc2ccccc21.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone?
The InChIKey is MGEVTQZBYOODES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNOS/c17-13-6-2-4-8-15(13)20-11-16(19)18-10-9-12-5-1-3-7-14(12)18/h1-8H,9-11H2.
What are the key properties of 2-(2-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone?
2-(2-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone has a molecular weight of 303.81 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 2382799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).