N-(2-fluoro-5-methylsulfanylphenyl)-1,1-diphenylmethanimine

C20H16FNS — CID 22031902

IUPACN-(2-fluoro-5-methylsulfanylphenyl)-1,1-diphenylmethanimine
SMILESCSc1ccc(F)c(N=C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C20H16FNS/c1-23-17-12-13-18(21)19(14-17)22-20(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-14H,1H3
InChIKeyOJCGKVRHSYHDHW-UHFFFAOYSA-N
MW321.42 g/mol
LogP5.72
Rot. Bonds4

About N-(2-fluoro-5-methylsulfanylphenyl)-1,1-diphenylmethanimine

N-(2-fluoro-5-methylsulfanylphenyl)-1,1-diphenylmethanimine (PubChem CID 22031902) has the molecular formula C20H16FNS and a molecular weight of 321.42 g/mol. Its IUPAC name is N-(2-fluoro-5-methylsulfanylphenyl)-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-(2-fluoro-5-methylsulfanylphenyl)-1,1-diphenylmethanimine
PubChem CID22031902
Molecular FormulaC20H16FNS
Molecular Weight321.42 g/mol
Exact Mass321.10
IUPAC NameN-(2-fluoro-5-methylsulfanylphenyl)-1,1-diphenylmethanimine
SMILESCSc1ccc(F)c(N=C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C20H16FNS/c1-23-17-12-13-18(21)19(14-17)22-20(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-14H,1H3
InChIKeyOJCGKVRHSYHDHW-UHFFFAOYSA-N
XLogP5.72
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.42
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-(2-fluoro-5-methylsulfanylphenyl)-1,1-diphenylmethanimine 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

2,4-Diphenyl-2,3-dihydro-1,5-benzothiazepine
CID 611171
2-(4-Methylphenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine
CID 2728660
3-(4-fluorophenyl)-2H-1,4-benzothiazine
CID 44568430
2-(4-Fluorophenyl)-4-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepine
CID 139217277
2,3-diphenyl-2H-1,4-benzothiazine
CID 85735261
6-Phenylbenzo[b][1,4]benzothiazepine
CID 59817249
2-ethyl-3-phenyl-2H-1,4-benzothiazine
CID 154198566
4-(4-Fluorophenyl)-2-methyl-2,3-dihydro-1,5-benzothiazepine
CID 615342
2-(4-Fluorophenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine
CID 16069733
N-(Diphenylmethylene)-3-fluoroaniline
CID 15545158
N-(3-fluoro-5-methylsulfanylphenyl)-1,1-diphenylmethanimine
CID 22031851
2-[4-(2-fluorophenyl)phenyl]-5-methylsulfanyl-3H-indole
CID 58119406

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methylsulfanylphenyl)-1,1-diphenylmethanimine?
The IUPAC name of N-(2-fluoro-5-methylsulfanylphenyl)-1,1-diphenylmethanimine (CID 22031902) is N-(2-fluoro-5-methylsulfanylphenyl)-1,1-diphenylmethanimine.
What is the SMILES notation for N-(2-fluoro-5-methylsulfanylphenyl)-1,1-diphenylmethanimine?
The canonical SMILES for N-(2-fluoro-5-methylsulfanylphenyl)-1,1-diphenylmethanimine is CSc1ccc(F)c(N=C(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of N-(2-fluoro-5-methylsulfanylphenyl)-1,1-diphenylmethanimine?
The InChIKey is OJCGKVRHSYHDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNS/c1-23-17-12-13-18(21)19(14-17)22-20(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-14H,1H3.
What are the key properties of N-(2-fluoro-5-methylsulfanylphenyl)-1,1-diphenylmethanimine?
N-(2-fluoro-5-methylsulfanylphenyl)-1,1-diphenylmethanimine has a molecular weight of 321.42 g/mol, XLogP of 5.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-methylsulfanylphenyl)-1,1-diphenylmethanimine is sourced from PubChem (CID 22031902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).