2-(4-chlorophenyl)sulfanyl-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone

C17H16ClNOS — CID 2336485

IUPAC2-(4-chlorophenyl)sulfanyl-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
SMILESC[C@H]1Cc2ccccc2N1C(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C17H16ClNOS/c1-12-10-13-4-2-3-5-16(13)19(12)17(20)11-21-15-8-6-14(18)7-9-15/h2-9,12H,10-11H2,1H3/t12-/m0/s1
InChIKeyMXMVILAVYUVPKY-LBPRGKRZSA-N
MW317.84 g/mol
LogP4.41
Rot. Bonds3

About 2-(4-chlorophenyl)sulfanyl-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone

2-(4-chlorophenyl)sulfanyl-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone (PubChem CID 2336485) has the molecular formula C17H16ClNOS and a molecular weight of 317.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
PubChem CID2336485
Molecular FormulaC17H16ClNOS
Molecular Weight317.84 g/mol
Exact Mass317.06
IUPAC Name2-(4-chlorophenyl)sulfanyl-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
SMILESC[C@H]1Cc2ccccc2N1C(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C17H16ClNOS/c1-12-10-13-4-2-3-5-16(13)19(12)17(20)11-21-15-8-6-14(18)7-9-15/h2-9,12H,10-11H2,1H3/t12-/m0/s1
InChIKeyMXMVILAVYUVPKY-LBPRGKRZSA-N
XLogP4.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-chlorophenyl)sulfanyl-1-[(2S)-2-methyl-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

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone (CID 2336485) is 2-(4-chlorophenyl)sulfanyl-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone is C[C@H]1Cc2ccccc2N1C(=O)CSc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is MXMVILAVYUVPKY-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H16ClNOS/c1-12-10-13-4-2-3-5-16(13)19(12)17(20)11-21-15-8-6-14(18)7-9-15/h2-9,12H,10-11H2,1H3/t12-/m0/s1.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone?
2-(4-chlorophenyl)sulfanyl-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 317.84 g/mol, XLogP of 4.41, 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-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 2336485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).