6-chloro-5-[hydroxy-(2-methylsulfanylphenyl)methyl]-1,3-dihydroindol-2-one

C16H14ClNO2S — CID 79211677

IUPAC6-chloro-5-[hydroxy-(2-methylsulfanylphenyl)methyl]-1,3-dihydroindol-2-one
SMILESCSc1ccccc1C(O)c1cc2c(cc1Cl)NC(=O)C2
InChIInChI=1S/C16H14ClNO2S/c1-21-14-5-3-2-4-10(14)16(20)11-6-9-7-15(19)18-13(9)8-12(11)17/h2-6,8,16,20H,7H2,1H3,(H,18,19)
InChIKeyOMWYLMFKEMZVKJ-UHFFFAOYSA-N
MW319.81 g/mol
LogP3.64
Rot. Bonds3

About 6-chloro-5-[hydroxy-(2-methylsulfanylphenyl)methyl]-1,3-dihydroindol-2-one

6-chloro-5-[hydroxy-(2-methylsulfanylphenyl)methyl]-1,3-dihydroindol-2-one (PubChem CID 79211677) has the molecular formula C16H14ClNO2S and a molecular weight of 319.81 g/mol. Its IUPAC name is 6-chloro-5-[hydroxy-(2-methylsulfanylphenyl)methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-chloro-5-[hydroxy-(2-methylsulfanylphenyl)methyl]-1,3-dihydroindol-2-one
PubChem CID79211677
Molecular FormulaC16H14ClNO2S
Molecular Weight319.81 g/mol
Exact Mass319.04
IUPAC Name6-chloro-5-[hydroxy-(2-methylsulfanylphenyl)methyl]-1,3-dihydroindol-2-one
SMILESCSc1ccccc1C(O)c1cc2c(cc1Cl)NC(=O)C2
InChIInChI=1S/C16H14ClNO2S/c1-21-14-5-3-2-4-10(14)16(20)11-6-9-7-15(19)18-13(9)8-12(11)17/h2-6,8,16,20H,7H2,1H3,(H,18,19)
InChIKeyOMWYLMFKEMZVKJ-UHFFFAOYSA-N
XLogP3.64
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[hydroxy-(2-methylsulfanylphenyl)methyl]-1,3-dihydroindol-2-one?
The IUPAC name of 6-chloro-5-[hydroxy-(2-methylsulfanylphenyl)methyl]-1,3-dihydroindol-2-one (CID 79211677) is 6-chloro-5-[hydroxy-(2-methylsulfanylphenyl)methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-chloro-5-[hydroxy-(2-methylsulfanylphenyl)methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 6-chloro-5-[hydroxy-(2-methylsulfanylphenyl)methyl]-1,3-dihydroindol-2-one is CSc1ccccc1C(O)c1cc2c(cc1Cl)NC(=O)C2.
What is the InChIKey of 6-chloro-5-[hydroxy-(2-methylsulfanylphenyl)methyl]-1,3-dihydroindol-2-one?
The InChIKey is OMWYLMFKEMZVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO2S/c1-21-14-5-3-2-4-10(14)16(20)11-6-9-7-15(19)18-13(9)8-12(11)17/h2-6,8,16,20H,7H2,1H3,(H,18,19).
What are the key properties of 6-chloro-5-[hydroxy-(2-methylsulfanylphenyl)methyl]-1,3-dihydroindol-2-one?
6-chloro-5-[hydroxy-(2-methylsulfanylphenyl)methyl]-1,3-dihydroindol-2-one has a molecular weight of 319.81 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-[hydroxy-(2-methylsulfanylphenyl)methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 79211677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).