6-[2-chloro-4-(trifluoromethyl)phenoxy]-3-methylsulfanyl-1,3-dihydroindol-2-one

C16H11ClF3NO2S — CID 10429454

IUPAC6-[2-chloro-4-(trifluoromethyl)phenoxy]-3-methylsulfanyl-1,3-dihydroindol-2-one
SMILESCSC1C(=O)Nc2cc(Oc3ccc(C(F)(F)F)cc3Cl)ccc21
InChIInChI=1S/C16H11ClF3NO2S/c1-24-14-10-4-3-9(7-12(10)21-15(14)22)23-13-5-2-8(6-11(13)17)16(18,19)20/h2-7,14H,1H3,(H,21,22)
InChIKeyZSNYLDDPUUYXLS-UHFFFAOYSA-N
MW373.78 g/mol
LogP5.51
Rot. Bonds3

About 6-[2-chloro-4-(trifluoromethyl)phenoxy]-3-methylsulfanyl-1,3-dihydroindol-2-one

6-[2-chloro-4-(trifluoromethyl)phenoxy]-3-methylsulfanyl-1,3-dihydroindol-2-one (PubChem CID 10429454) has the molecular formula C16H11ClF3NO2S and a molecular weight of 373.78 g/mol. Its IUPAC name is 6-[2-chloro-4-(trifluoromethyl)phenoxy]-3-methylsulfanyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-[2-chloro-4-(trifluoromethyl)phenoxy]-3-methylsulfanyl-1,3-dihydroindol-2-one
PubChem CID10429454
Molecular FormulaC16H11ClF3NO2S
Molecular Weight373.78 g/mol
Exact Mass373.02
IUPAC Name6-[2-chloro-4-(trifluoromethyl)phenoxy]-3-methylsulfanyl-1,3-dihydroindol-2-one
SMILESCSC1C(=O)Nc2cc(Oc3ccc(C(F)(F)F)cc3Cl)ccc21
InChIInChI=1S/C16H11ClF3NO2S/c1-24-14-10-4-3-9(7-12(10)21-15(14)22)23-13-5-2-8(6-11(13)17)16(18,19)20/h2-7,14H,1H3,(H,21,22)
InChIKeyZSNYLDDPUUYXLS-UHFFFAOYSA-N
XLogP5.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.78
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[2-chloro-4-(trifluoromethyl)phenoxy]-3-methylsulfanyl-1,3-dihydroindol-2-one?
The IUPAC name of 6-[2-chloro-4-(trifluoromethyl)phenoxy]-3-methylsulfanyl-1,3-dihydroindol-2-one (CID 10429454) is 6-[2-chloro-4-(trifluoromethyl)phenoxy]-3-methylsulfanyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-[2-chloro-4-(trifluoromethyl)phenoxy]-3-methylsulfanyl-1,3-dihydroindol-2-one?
The canonical SMILES for 6-[2-chloro-4-(trifluoromethyl)phenoxy]-3-methylsulfanyl-1,3-dihydroindol-2-one is CSC1C(=O)Nc2cc(Oc3ccc(C(F)(F)F)cc3Cl)ccc21.
What is the InChIKey of 6-[2-chloro-4-(trifluoromethyl)phenoxy]-3-methylsulfanyl-1,3-dihydroindol-2-one?
The InChIKey is ZSNYLDDPUUYXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3NO2S/c1-24-14-10-4-3-9(7-12(10)21-15(14)22)23-13-5-2-8(6-11(13)17)16(18,19)20/h2-7,14H,1H3,(H,21,22).
What are the key properties of 6-[2-chloro-4-(trifluoromethyl)phenoxy]-3-methylsulfanyl-1,3-dihydroindol-2-one?
6-[2-chloro-4-(trifluoromethyl)phenoxy]-3-methylsulfanyl-1,3-dihydroindol-2-one has a molecular weight of 373.78 g/mol, XLogP of 5.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-chloro-4-(trifluoromethyl)phenoxy]-3-methylsulfanyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 10429454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).