2-(4-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone

C16H14ClNOS — CID 738382

IUPAC2-(4-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone
SMILESO=C(CSc1ccc(Cl)cc1)N1CCc2ccccc21
InChIInChI=1S/C16H14ClNOS/c17-13-5-7-14(8-6-13)20-11-16(19)18-10-9-12-3-1-2-4-15(12)18/h1-8H,9-11H2
InChIKeyBEFGPIDCHOCQQU-UHFFFAOYSA-N
MW303.81 g/mol
LogP4.02
Rot. Bonds3

About 2-(4-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone

2-(4-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone (PubChem CID 738382) has the molecular formula C16H14ClNOS and a molecular weight of 303.81 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone
PubChem CID738382
Molecular FormulaC16H14ClNOS
Molecular Weight303.81 g/mol
Exact Mass303.05
IUPAC Name2-(4-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone
SMILESO=C(CSc1ccc(Cl)cc1)N1CCc2ccccc21
InChIInChI=1S/C16H14ClNOS/c17-13-5-7-14(8-6-13)20-11-16(19)18-10-9-12-3-1-2-4-15(12)18/h1-8H,9-11H2
InChIKeyBEFGPIDCHOCQQU-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

Analyze 2-(4-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 17257492
2-(2-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone
CID 2382799
1-(3,4-dihydro-2H-quinolin-1-yl)-2-phenylsulfanylethanone
CID 3476595
N-[(Z)-1-(4-chlorophenyl)-3-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylanilino]-3-oxoprop-1-en-2-yl]benzamide
CID 22193266
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-(2,3-dihydroindol-1-yl)ethanone
CID 2708586
2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(2,3-dihydroindol-1-yl)ethanone
CID 2489380
2-(4-amino-2-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone
CID 43305239
N-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylphenyl]-4-methylbenzamide
CID 19631179
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
(Z)-4-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylanilino]-2-methyl-4-oxobut-2-enoic acid
CID 19059406
2-benzhydrylsulfanyl-1-(2,3-dihydroindol-1-yl)ethanone
CID 18275650
2-[4-(4-chlorobenzoyl)piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone
CID 60561349

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone (CID 738382) is 2-(4-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone is O=C(CSc1ccc(Cl)cc1)N1CCc2ccccc21.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone?
The InChIKey is BEFGPIDCHOCQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNOS/c17-13-5-7-14(8-6-13)20-11-16(19)18-10-9-12-3-1-2-4-15(12)18/h1-8H,9-11H2.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone?
2-(4-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-(4-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 738382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).