3-(5-chloro-2-methylsulfanylphenyl)-3-fluoro-6-(trifluoromethyl)-1H-indol-2-one

C16H10ClF4NOS — CID 18412763

IUPAC3-(5-chloro-2-methylsulfanylphenyl)-3-fluoro-6-(trifluoromethyl)-1H-indol-2-one
SMILESCSc1ccc(Cl)cc1C1(F)C(=O)Nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C16H10ClF4NOS/c1-24-13-5-3-9(17)7-11(13)15(18)10-4-2-8(16(19,20)21)6-12(10)22-14(15)23/h2-7H,1H3,(H,22,23)
InChIKeyVPSSNGOLAZBDCZ-UHFFFAOYSA-N
MW375.77 g/mol
LogP5.25
Rot. Bonds2

About 3-(5-chloro-2-methylsulfanylphenyl)-3-fluoro-6-(trifluoromethyl)-1H-indol-2-one

3-(5-chloro-2-methylsulfanylphenyl)-3-fluoro-6-(trifluoromethyl)-1H-indol-2-one (PubChem CID 18412763) has the molecular formula C16H10ClF4NOS and a molecular weight of 375.77 g/mol. Its IUPAC name is 3-(5-chloro-2-methylsulfanylphenyl)-3-fluoro-6-(trifluoromethyl)-1H-indol-2-one.

Molecular Properties

Compound Name3-(5-chloro-2-methylsulfanylphenyl)-3-fluoro-6-(trifluoromethyl)-1H-indol-2-one
PubChem CID18412763
Molecular FormulaC16H10ClF4NOS
Molecular Weight375.77 g/mol
Exact Mass375.01
IUPAC Name3-(5-chloro-2-methylsulfanylphenyl)-3-fluoro-6-(trifluoromethyl)-1H-indol-2-one
SMILESCSc1ccc(Cl)cc1C1(F)C(=O)Nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C16H10ClF4NOS/c1-24-13-5-3-9(17)7-11(13)15(18)10-4-2-8(16(19,20)21)6-12(10)22-14(15)23/h2-7H,1H3,(H,22,23)
InChIKeyVPSSNGOLAZBDCZ-UHFFFAOYSA-N
XLogP5.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.77
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(5-chloro-2-methylsulfanylphenyl)-3-fluoro-6-(trifluoromethyl)-1H-indol-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 3-(5-chloro-2-methylsulfanylphenyl)-3-fluoro-6-(trifluoromethyl)-1H-indol-2-one?
The IUPAC name of 3-(5-chloro-2-methylsulfanylphenyl)-3-fluoro-6-(trifluoromethyl)-1H-indol-2-one (CID 18412763) is 3-(5-chloro-2-methylsulfanylphenyl)-3-fluoro-6-(trifluoromethyl)-1H-indol-2-one.
What is the SMILES notation for 3-(5-chloro-2-methylsulfanylphenyl)-3-fluoro-6-(trifluoromethyl)-1H-indol-2-one?
The canonical SMILES for 3-(5-chloro-2-methylsulfanylphenyl)-3-fluoro-6-(trifluoromethyl)-1H-indol-2-one is CSc1ccc(Cl)cc1C1(F)C(=O)Nc2cc(C(F)(F)F)ccc21.
What is the InChIKey of 3-(5-chloro-2-methylsulfanylphenyl)-3-fluoro-6-(trifluoromethyl)-1H-indol-2-one?
The InChIKey is VPSSNGOLAZBDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF4NOS/c1-24-13-5-3-9(17)7-11(13)15(18)10-4-2-8(16(19,20)21)6-12(10)22-14(15)23/h2-7H,1H3,(H,22,23).
What are the key properties of 3-(5-chloro-2-methylsulfanylphenyl)-3-fluoro-6-(trifluoromethyl)-1H-indol-2-one?
3-(5-chloro-2-methylsulfanylphenyl)-3-fluoro-6-(trifluoromethyl)-1H-indol-2-one has a molecular weight of 375.77 g/mol, XLogP of 5.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methylsulfanylphenyl)-3-fluoro-6-(trifluoromethyl)-1H-indol-2-one is sourced from PubChem (CID 18412763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).