5-[2-(2,6-dichlorophenyl)sulfanylacetyl]-1-methyl-3H-indol-2-one

C17H13Cl2NO2S — CID 8575723

IUPAC5-[2-(2,6-dichlorophenyl)sulfanylacetyl]-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(C(=O)CSc3c(Cl)cccc3Cl)ccc21
InChIInChI=1S/C17H13Cl2NO2S/c1-20-14-6-5-10(7-11(14)8-16(20)22)15(21)9-23-17-12(18)3-2-4-13(17)19/h2-7H,8-9H2,1H3
InChIKeyMGVZCNCOGCUQEF-UHFFFAOYSA-N
MW366.27 g/mol
LogP4.49
Rot. Bonds4

About 5-[2-(2,6-dichlorophenyl)sulfanylacetyl]-1-methyl-3H-indol-2-one

5-[2-(2,6-dichlorophenyl)sulfanylacetyl]-1-methyl-3H-indol-2-one (PubChem CID 8575723) has the molecular formula C17H13Cl2NO2S and a molecular weight of 366.27 g/mol. Its IUPAC name is 5-[2-(2,6-dichlorophenyl)sulfanylacetyl]-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-[2-(2,6-dichlorophenyl)sulfanylacetyl]-1-methyl-3H-indol-2-one
PubChem CID8575723
Molecular FormulaC17H13Cl2NO2S
Molecular Weight366.27 g/mol
Exact Mass365.00
IUPAC Name5-[2-(2,6-dichlorophenyl)sulfanylacetyl]-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(C(=O)CSc3c(Cl)cccc3Cl)ccc21
InChIInChI=1S/C17H13Cl2NO2S/c1-20-14-6-5-10(7-11(14)8-16(20)22)15(21)9-23-17-12(18)3-2-4-13(17)19/h2-7H,8-9H2,1H3
InChIKeyMGVZCNCOGCUQEF-UHFFFAOYSA-N
XLogP4.49
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.27
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,6-dichlorophenyl)sulfanylacetyl]-1-methyl-3H-indol-2-one?
The IUPAC name of 5-[2-(2,6-dichlorophenyl)sulfanylacetyl]-1-methyl-3H-indol-2-one (CID 8575723) is 5-[2-(2,6-dichlorophenyl)sulfanylacetyl]-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-[2-(2,6-dichlorophenyl)sulfanylacetyl]-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-[2-(2,6-dichlorophenyl)sulfanylacetyl]-1-methyl-3H-indol-2-one is CN1C(=O)Cc2cc(C(=O)CSc3c(Cl)cccc3Cl)ccc21.
What is the InChIKey of 5-[2-(2,6-dichlorophenyl)sulfanylacetyl]-1-methyl-3H-indol-2-one?
The InChIKey is MGVZCNCOGCUQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2NO2S/c1-20-14-6-5-10(7-11(14)8-16(20)22)15(21)9-23-17-12(18)3-2-4-13(17)19/h2-7H,8-9H2,1H3.
What are the key properties of 5-[2-(2,6-dichlorophenyl)sulfanylacetyl]-1-methyl-3H-indol-2-one?
5-[2-(2,6-dichlorophenyl)sulfanylacetyl]-1-methyl-3H-indol-2-one has a molecular weight of 366.27 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,6-dichlorophenyl)sulfanylacetyl]-1-methyl-3H-indol-2-one is sourced from PubChem (CID 8575723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).