(2'S,3R)-6-chloro-4'-(3-chlorophenyl)-6'-methylsulfanyl-2'-[2-(trifluoromethyl)phenyl]spiro[1H-indole-3,3'-4,5-dihydro-2H-pyridine]-2-one

C26H19Cl2F3N2OS — CID 86622022

IUPAC(2'S,3R)-6-chloro-4'-(3-chlorophenyl)-6'-methylsulfanyl-2'-[2-(trifluoromethyl)phenyl]spiro[1H-indole-3,3'-4,5-dihydro-2H-pyridine]-2-one
SMILESCSC1=N[C@@H](c2ccccc2C(F)(F)F)[C@@]2(C(=O)Nc3cc(Cl)ccc32)C(c2cccc(Cl)c2)C1
InChIInChI=1S/C26H19Cl2F3N2OS/c1-35-22-13-20(14-5-4-6-15(27)11-14)25(19-10-9-16(28)12-21(19)32-24(25)34)23(33-22)17-7-2-3-8-18(17)26(29,30)31/h2-12,20,23H,13H2,1H3,(H,32,34)/t20?,23-,25-/m0/s1
InChIKeyPCMOTHXDLHZTOZ-WAXYSGSMSA-N
MW535.42 g/mol
LogP7.89
Rot. Bonds2

About (2'S,3R)-6-chloro-4'-(3-chlorophenyl)-6'-methylsulfanyl-2'-[2-(trifluoromethyl)phenyl]spiro[1H-indole-3,3'-4,5-dihydro-2H-pyridine]-2-one

(2'S,3R)-6-chloro-4'-(3-chlorophenyl)-6'-methylsulfanyl-2'-[2-(trifluoromethyl)phenyl]spiro[1H-indole-3,3'-4,5-dihydro-2H-pyridine]-2-one (PubChem CID 86622022) has the molecular formula C26H19Cl2F3N2OS and a molecular weight of 535.42 g/mol. Its IUPAC name is (2'S,3R)-6-chloro-4'-(3-chlorophenyl)-6'-methylsulfanyl-2'-[2-(trifluoromethyl)phenyl]spiro[1H-indole-3,3'-4,5-dihydro-2H-pyridine]-2-one.

Molecular Properties

Compound Name(2'S,3R)-6-chloro-4'-(3-chlorophenyl)-6'-methylsulfanyl-2'-[2-(trifluoromethyl)phenyl]spiro[1H-indole-3,3'-4,5-dihydro-2H-pyridine]-2-one
PubChem CID86622022
Molecular FormulaC26H19Cl2F3N2OS
Molecular Weight535.42 g/mol
Exact Mass534.05
IUPAC Name(2'S,3R)-6-chloro-4'-(3-chlorophenyl)-6'-methylsulfanyl-2'-[2-(trifluoromethyl)phenyl]spiro[1H-indole-3,3'-4,5-dihydro-2H-pyridine]-2-one
SMILESCSC1=N[C@@H](c2ccccc2C(F)(F)F)[C@@]2(C(=O)Nc3cc(Cl)ccc32)C(c2cccc(Cl)c2)C1
InChIInChI=1S/C26H19Cl2F3N2OS/c1-35-22-13-20(14-5-4-6-15(27)11-14)25(19-10-9-16(28)12-21(19)32-24(25)34)23(33-22)17-7-2-3-8-18(17)26(29,30)31/h2-12,20,23H,13H2,1H3,(H,32,34)/t20?,23-,25-/m0/s1
InChIKeyPCMOTHXDLHZTOZ-WAXYSGSMSA-N
XLogP7.89
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.42
LogP ≤ 57.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)-6'-sulfanyl-2'-[2-(trifluoromethyl)phenyl]spiro[1H-indole-3,3'-piperidine]-2-one
CID 162583566
(3S,4'R,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-(2-ethylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 68958392
(2'S,3S,4'R)-6-chloro-4'-(3-chlorophenyl)-2'-(5-fluoro-2-methylphenyl)-6'-piperazin-1-ylspiro[1H-indole-3,3'-4,5-dihydro-2H-pyridine]-2-one
CID 24876077
(3S,4'R,6'S)-6-chloro-6'-(2-chlorophenyl)-4'-(3-chlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 68958160
(3'S,5'R)-6-chloro-3'-(3-chlorophenyl)-5'-(3-fluorophenyl)spiro[1H-indole-3,4'-cyclohexane]-1',2-dione
CID 67212969
6-chloro-3'-(3-chloro-5-fluorophenyl)-5'-(3-chlorophenyl)spiro[1H-indole-3,4'-cyclohexane]-1',2-dione
CID 67212911
(3S,3'R,5'S)-6-chloro-3'-(3-chloro-5-fluorophenyl)-5'-(3-chlorophenyl)spiro[1H-indole-3,4'-cyclohexane]-1',2-dione
CID 24994219
(3R,4'S,6'R)-6-chloro-4'-(3-chlorophenyl)-6'-(2,4-difluorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 68961944
(3R,4'S,6'R)-6-chloro-4'-(3-chlorophenyl)-1'-methyl-6'-(2-methylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 24788928
6-chloro-4'-(3-chlorophenyl)-6'-phenylspiro[1H-indole-3,5'-azepane]-2,2'-dione
CID 91616341
6-chloro-6'-(3-chlorophenyl)-4'-phenylspiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 131727313
(3S,4'R,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-(5-fluoro-2-methylphenyl)-1'-methylspiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 68963007

Frequently Asked Questions

What is the IUPAC name of (2'S,3R)-6-chloro-4'-(3-chlorophenyl)-6'-methylsulfanyl-2'-[2-(trifluoromethyl)phenyl]spiro[1H-indole-3,3'-4,5-dihydro-2H-pyridine]-2-one?
The IUPAC name of (2'S,3R)-6-chloro-4'-(3-chlorophenyl)-6'-methylsulfanyl-2'-[2-(trifluoromethyl)phenyl]spiro[1H-indole-3,3'-4,5-dihydro-2H-pyridine]-2-one (CID 86622022) is (2'S,3R)-6-chloro-4'-(3-chlorophenyl)-6'-methylsulfanyl-2'-[2-(trifluoromethyl)phenyl]spiro[1H-indole-3,3'-4,5-dihydro-2H-pyridine]-2-one.
What is the SMILES notation for (2'S,3R)-6-chloro-4'-(3-chlorophenyl)-6'-methylsulfanyl-2'-[2-(trifluoromethyl)phenyl]spiro[1H-indole-3,3'-4,5-dihydro-2H-pyridine]-2-one?
The canonical SMILES for (2'S,3R)-6-chloro-4'-(3-chlorophenyl)-6'-methylsulfanyl-2'-[2-(trifluoromethyl)phenyl]spiro[1H-indole-3,3'-4,5-dihydro-2H-pyridine]-2-one is CSC1=N[C@@H](c2ccccc2C(F)(F)F)[C@@]2(C(=O)Nc3cc(Cl)ccc32)C(c2cccc(Cl)c2)C1.
What is the InChIKey of (2'S,3R)-6-chloro-4'-(3-chlorophenyl)-6'-methylsulfanyl-2'-[2-(trifluoromethyl)phenyl]spiro[1H-indole-3,3'-4,5-dihydro-2H-pyridine]-2-one?
The InChIKey is PCMOTHXDLHZTOZ-WAXYSGSMSA-N. The full InChI is InChI=1S/C26H19Cl2F3N2OS/c1-35-22-13-20(14-5-4-6-15(27)11-14)25(19-10-9-16(28)12-21(19)32-24(25)34)23(33-22)17-7-2-3-8-18(17)26(29,30)31/h2-12,20,23H,13H2,1H3,(H,32,34)/t20?,23-,25-/m0/s1.
What are the key properties of (2'S,3R)-6-chloro-4'-(3-chlorophenyl)-6'-methylsulfanyl-2'-[2-(trifluoromethyl)phenyl]spiro[1H-indole-3,3'-4,5-dihydro-2H-pyridine]-2-one?
(2'S,3R)-6-chloro-4'-(3-chlorophenyl)-6'-methylsulfanyl-2'-[2-(trifluoromethyl)phenyl]spiro[1H-indole-3,3'-4,5-dihydro-2H-pyridine]-2-one has a molecular weight of 535.42 g/mol, XLogP of 7.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,3R)-6-chloro-4'-(3-chlorophenyl)-6'-methylsulfanyl-2'-[2-(trifluoromethyl)phenyl]spiro[1H-indole-3,3'-4,5-dihydro-2H-pyridine]-2-one is sourced from PubChem (CID 86622022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).