imino-methyl-oxo-[4-[2-[4-(trifluoromethyl)phenyl]sulfanylphenyl]phenyl]-λ6-sulfane

C20H16F3NOS2 — CID 170092101

IUPACimino-methyl-oxo-[4-[2-[4-(trifluoromethyl)phenyl]sulfanylphenyl]phenyl]-λ6-sulfane
SMILES[H]N=S(C)(=O)c1ccc(-c2ccccc2Sc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C20H16F3NOS2/c1-27(24,25)17-12-6-14(7-13-17)18-4-2-3-5-19(18)26-16-10-8-15(9-11-16)20(21,22)23/h2-13,24H,1H3
InChIKeyVMLINQVZPQIHFP-UHFFFAOYSA-N
MW407.48 g/mol
LogP6.56
Rot. Bonds4

About imino-methyl-oxo-[4-[2-[4-(trifluoromethyl)phenyl]sulfanylphenyl]phenyl]-λ6-sulfane

imino-methyl-oxo-[4-[2-[4-(trifluoromethyl)phenyl]sulfanylphenyl]phenyl]-λ6-sulfane (PubChem CID 170092101) has the molecular formula C20H16F3NOS2 and a molecular weight of 407.48 g/mol. Its IUPAC name is imino-methyl-oxo-[4-[2-[4-(trifluoromethyl)phenyl]sulfanylphenyl]phenyl]-λ6-sulfane.

Molecular Properties

Compound Nameimino-methyl-oxo-[4-[2-[4-(trifluoromethyl)phenyl]sulfanylphenyl]phenyl]-λ6-sulfane
PubChem CID170092101
Molecular FormulaC20H16F3NOS2
Molecular Weight407.48 g/mol
Exact Mass407.06
IUPAC Nameimino-methyl-oxo-[4-[2-[4-(trifluoromethyl)phenyl]sulfanylphenyl]phenyl]-λ6-sulfane
SMILES[H]N=S(C)(=O)c1ccc(-c2ccccc2Sc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C20H16F3NOS2/c1-27(24,25)17-12-6-14(7-13-17)18-4-2-3-5-19(18)26-16-10-8-15(9-11-16)20(21,22)23/h2-13,24H,1H3
InChIKeyVMLINQVZPQIHFP-UHFFFAOYSA-N
XLogP6.56
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.48
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze imino-methyl-oxo-[4-[2-[4-(trifluoromethyl)phenyl]sulfanylphenyl]phenyl]-λ6-sulfane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

imino-methyl-oxo-[3-[2-[4-(trifluoromethyl)phenyl]sulfanylphenyl]phenyl]-λ6-sulfane
CID 169108520
2-[4-(trifluoromethyl)phenyl]sulfanylnaphthalene-1,4-dione
CID 139943484
1-methyl-7-[2-[4-(trifluoromethyl)phenyl]sulfanylphenyl]-1,8-naphthyridin-4-one
CID 169108113
2-(4-methylsulfonylphenyl)-5-(trifluoromethyl)aniline
CID 16754337
N-benzyl-N-methyl-2-[4-(trifluoromethyl)phenyl]sulfanylaniline
CID 143629102
1-(4-methylphenyl)sulfonyl-3-phenyl-4-[4-(trifluoromethyl)phenyl]pyrrole
CID 134950378
1-[4-(4-tert-butylphenyl)sulfonylphenyl]sulfanyl-4-phenylbenzene
CID 134591470
2-[4-(trifluoromethyl)phenyl]phenol
CID 11230142
N-[2,2-difluoro-1-[4-(trifluoromethyl)phenyl]ethyl]-4-(methylsulfonimidoyl)benzamide
CID 166397627
1-nitro-2-[4-(trifluoromethyl)phenyl]benzene
CID 22625277
1-[2-[4-(trifluoromethyl)phenyl]phenyl]ethanamine
CID 54911995
2,2-dimethyl-1-[2-[4-(trifluoromethyl)phenyl]phenyl]propan-1-one
CID 16680132

Frequently Asked Questions

What is the IUPAC name of imino-methyl-oxo-[4-[2-[4-(trifluoromethyl)phenyl]sulfanylphenyl]phenyl]-λ6-sulfane?
The IUPAC name of imino-methyl-oxo-[4-[2-[4-(trifluoromethyl)phenyl]sulfanylphenyl]phenyl]-λ6-sulfane (CID 170092101) is imino-methyl-oxo-[4-[2-[4-(trifluoromethyl)phenyl]sulfanylphenyl]phenyl]-λ6-sulfane.
What is the SMILES notation for imino-methyl-oxo-[4-[2-[4-(trifluoromethyl)phenyl]sulfanylphenyl]phenyl]-λ6-sulfane?
The canonical SMILES for imino-methyl-oxo-[4-[2-[4-(trifluoromethyl)phenyl]sulfanylphenyl]phenyl]-λ6-sulfane is [H]N=S(C)(=O)c1ccc(-c2ccccc2Sc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of imino-methyl-oxo-[4-[2-[4-(trifluoromethyl)phenyl]sulfanylphenyl]phenyl]-λ6-sulfane?
The InChIKey is VMLINQVZPQIHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3NOS2/c1-27(24,25)17-12-6-14(7-13-17)18-4-2-3-5-19(18)26-16-10-8-15(9-11-16)20(21,22)23/h2-13,24H,1H3.
What are the key properties of imino-methyl-oxo-[4-[2-[4-(trifluoromethyl)phenyl]sulfanylphenyl]phenyl]-λ6-sulfane?
imino-methyl-oxo-[4-[2-[4-(trifluoromethyl)phenyl]sulfanylphenyl]phenyl]-λ6-sulfane has a molecular weight of 407.48 g/mol, XLogP of 6.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for imino-methyl-oxo-[4-[2-[4-(trifluoromethyl)phenyl]sulfanylphenyl]phenyl]-λ6-sulfane is sourced from PubChem (CID 170092101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).