7-(4-chlorobenzoyl)-3-methylsulfanyl-1,3-dihydroindol-2-one

C16H12ClNO2S — CID 12923549

IUPAC7-(4-chlorobenzoyl)-3-methylsulfanyl-1,3-dihydroindol-2-one
SMILESCSC1C(=O)Nc2c(C(=O)c3ccc(Cl)cc3)cccc21
InChIInChI=1S/C16H12ClNO2S/c1-21-15-12-4-2-3-11(13(12)18-16(15)20)14(19)9-5-7-10(17)8-6-9/h2-8,15H,1H3,(H,18,20)
InChIKeyZPMJRLJAZUVURP-UHFFFAOYSA-N
MW317.80 g/mol
LogP3.93
Rot. Bonds3

About 7-(4-chlorobenzoyl)-3-methylsulfanyl-1,3-dihydroindol-2-one

7-(4-chlorobenzoyl)-3-methylsulfanyl-1,3-dihydroindol-2-one (PubChem CID 12923549) has the molecular formula C16H12ClNO2S and a molecular weight of 317.80 g/mol. Its IUPAC name is 7-(4-chlorobenzoyl)-3-methylsulfanyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-(4-chlorobenzoyl)-3-methylsulfanyl-1,3-dihydroindol-2-one
PubChem CID12923549
Molecular FormulaC16H12ClNO2S
Molecular Weight317.80 g/mol
Exact Mass317.03
IUPAC Name7-(4-chlorobenzoyl)-3-methylsulfanyl-1,3-dihydroindol-2-one
SMILESCSC1C(=O)Nc2c(C(=O)c3ccc(Cl)cc3)cccc21
InChIInChI=1S/C16H12ClNO2S/c1-21-15-12-4-2-3-11(13(12)18-16(15)20)14(19)9-5-7-10(17)8-6-9/h2-8,15H,1H3,(H,18,20)
InChIKeyZPMJRLJAZUVURP-UHFFFAOYSA-N
XLogP3.93
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.80
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-(4-chlorobenzoyl)-3-methylsulfanyl-1,3-dihydroindol-2-one 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 7-(4-chlorobenzoyl)-3-methylsulfanyl-1,3-dihydroindol-2-one?
The IUPAC name of 7-(4-chlorobenzoyl)-3-methylsulfanyl-1,3-dihydroindol-2-one (CID 12923549) is 7-(4-chlorobenzoyl)-3-methylsulfanyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-(4-chlorobenzoyl)-3-methylsulfanyl-1,3-dihydroindol-2-one?
The canonical SMILES for 7-(4-chlorobenzoyl)-3-methylsulfanyl-1,3-dihydroindol-2-one is CSC1C(=O)Nc2c(C(=O)c3ccc(Cl)cc3)cccc21.
What is the InChIKey of 7-(4-chlorobenzoyl)-3-methylsulfanyl-1,3-dihydroindol-2-one?
The InChIKey is ZPMJRLJAZUVURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO2S/c1-21-15-12-4-2-3-11(13(12)18-16(15)20)14(19)9-5-7-10(17)8-6-9/h2-8,15H,1H3,(H,18,20).
What are the key properties of 7-(4-chlorobenzoyl)-3-methylsulfanyl-1,3-dihydroindol-2-one?
7-(4-chlorobenzoyl)-3-methylsulfanyl-1,3-dihydroindol-2-one has a molecular weight of 317.80 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorobenzoyl)-3-methylsulfanyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 12923549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).