5-chloro-6-[(2-chlorophenyl)methylsulfanyl]-3-hydroxy-1,3-dihydroindol-2-one

C15H11Cl2NO2S — CID 103290802

IUPAC5-chloro-6-[(2-chlorophenyl)methylsulfanyl]-3-hydroxy-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(SCc3ccccc3Cl)c(Cl)cc2C1O
InChIInChI=1S/C15H11Cl2NO2S/c16-10-4-2-1-3-8(10)7-21-13-6-12-9(5-11(13)17)14(19)15(20)18-12/h1-6,14,19H,7H2,(H,18,20)
InChIKeySDIGGPQIZMLQMS-UHFFFAOYSA-N
MW340.23 g/mol
LogP4.27
Rot. Bonds3

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

5-chloro-6-[(2-chlorophenyl)methylsulfanyl]-3-hydroxy-1,3-dihydroindol-2-one (PubChem CID 103290802) has the molecular formula C15H11Cl2NO2S and a molecular weight of 340.23 g/mol. Its IUPAC name is 5-chloro-6-[(2-chlorophenyl)methylsulfanyl]-3-hydroxy-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-chloro-6-[(2-chlorophenyl)methylsulfanyl]-3-hydroxy-1,3-dihydroindol-2-one
PubChem CID103290802
Molecular FormulaC15H11Cl2NO2S
Molecular Weight340.23 g/mol
Exact Mass338.99
IUPAC Name5-chloro-6-[(2-chlorophenyl)methylsulfanyl]-3-hydroxy-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(SCc3ccccc3Cl)c(Cl)cc2C1O
InChIInChI=1S/C15H11Cl2NO2S/c16-10-4-2-1-3-8(10)7-21-13-6-12-9(5-11(13)17)14(19)15(20)18-12/h1-6,14,19H,7H2,(H,18,20)
InChIKeySDIGGPQIZMLQMS-UHFFFAOYSA-N
XLogP4.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.23
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-3-hydroxy-6-[(2-methylphenyl)methylsulfanyl]-1,3-dihydroindol-2-one
CID 79342304
5-chloro-6-(4-fluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one
CID 79336076
5-chloro-3-hydroxy-6-(4-methylpyrimidin-2-yl)sulfanyl-1,3-dihydroindol-2-one
CID 79336565
6-(azepan-1-yl)-5-chloro-3-hydroxy-1,3-dihydroindol-2-one
CID 79336064
6-[benzyl(methyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one
CID 79344998
5-chloro-6-(N-ethylanilino)-3-hydroxy-1,3-dihydroindol-2-one
CID 79345004
5-chloro-6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one
CID 102926178
5-chloro-6-(diethylamino)-3-hydroxy-1,3-dihydroindol-2-one
CID 79336757
3-chloro-4-[(2-chlorophenyl)methylsulfanyl]benzoic acid
CID 103290020
5-bromo-3-hydroxy-6-(3-hydroxy-2-methylpropyl)sulfanyl-1,3-dihydroindol-2-one
CID 79343022
5-chloro-6-(3,4-dimethylpyrrolidin-1-yl)-3-hydroxy-1,3-dihydroindol-2-one
CID 79335937
5-chloro-3-hydroxy-6-[2-hydroxyethyl(methyl)amino]-1,3-dihydroindol-2-one
CID 79336624

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(2-chlorophenyl)methylsulfanyl]-3-hydroxy-1,3-dihydroindol-2-one?
The IUPAC name of 5-chloro-6-[(2-chlorophenyl)methylsulfanyl]-3-hydroxy-1,3-dihydroindol-2-one (CID 103290802) is 5-chloro-6-[(2-chlorophenyl)methylsulfanyl]-3-hydroxy-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-chloro-6-[(2-chlorophenyl)methylsulfanyl]-3-hydroxy-1,3-dihydroindol-2-one?
The canonical SMILES for 5-chloro-6-[(2-chlorophenyl)methylsulfanyl]-3-hydroxy-1,3-dihydroindol-2-one is O=C1Nc2cc(SCc3ccccc3Cl)c(Cl)cc2C1O.
What is the InChIKey of 5-chloro-6-[(2-chlorophenyl)methylsulfanyl]-3-hydroxy-1,3-dihydroindol-2-one?
The InChIKey is SDIGGPQIZMLQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO2S/c16-10-4-2-1-3-8(10)7-21-13-6-12-9(5-11(13)17)14(19)15(20)18-12/h1-6,14,19H,7H2,(H,18,20).
What are the key properties of 5-chloro-6-[(2-chlorophenyl)methylsulfanyl]-3-hydroxy-1,3-dihydroindol-2-one?
5-chloro-6-[(2-chlorophenyl)methylsulfanyl]-3-hydroxy-1,3-dihydroindol-2-one has a molecular weight of 340.23 g/mol, XLogP of 4.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(2-chlorophenyl)methylsulfanyl]-3-hydroxy-1,3-dihydroindol-2-one is sourced from PubChem (CID 103290802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).