5-chloro-7-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one

C10H10ClNOS — CID 134996583

IUPAC5-chloro-7-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one
SMILESCSC1C(=O)Nc2c(C)cc(Cl)cc21
InChIInChI=1S/C10H10ClNOS/c1-5-3-6(11)4-7-8(5)12-10(13)9(7)14-2/h3-4,9H,1-2H3,(H,12,13)
InChIKeyGGZHCSZBYDZGRB-UHFFFAOYSA-N
MW227.72 g/mol
LogP3.00
Rot. Bonds1

About 5-chloro-7-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one

5-chloro-7-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one (PubChem CID 134996583) has the molecular formula C10H10ClNOS and a molecular weight of 227.72 g/mol. Its IUPAC name is 5-chloro-7-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-chloro-7-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one
PubChem CID134996583
Molecular FormulaC10H10ClNOS
Molecular Weight227.72 g/mol
Exact Mass227.02
IUPAC Name5-chloro-7-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one
SMILESCSC1C(=O)Nc2c(C)cc(Cl)cc21
InChIInChI=1S/C10H10ClNOS/c1-5-3-6(11)4-7-8(5)12-10(13)9(7)14-2/h3-4,9H,1-2H3,(H,12,13)
InChIKeyGGZHCSZBYDZGRB-UHFFFAOYSA-N
XLogP3.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.72
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-chloro-7-methyl-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 5-chloro-7-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-chloro-7-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one (CID 134996583) is 5-chloro-7-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-chloro-7-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-chloro-7-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one is CSC1C(=O)Nc2c(C)cc(Cl)cc21.
What is the InChIKey of 5-chloro-7-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one?
The InChIKey is GGZHCSZBYDZGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNOS/c1-5-3-6(11)4-7-8(5)12-10(13)9(7)14-2/h3-4,9H,1-2H3,(H,12,13).
What are the key properties of 5-chloro-7-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one?
5-chloro-7-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one has a molecular weight of 227.72 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 134996583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).