N-(4-bromophenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine

C19H13BrClNS — CID 126104707

IUPACN-(4-bromophenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine
SMILESClc1ccc(Sc2ccc(/C=N/c3ccc(Br)cc3)cc2)cc1
InChIInChI=1S/C19H13BrClNS/c20-15-3-7-17(8-4-15)22-13-14-1-9-18(10-2-14)23-19-11-5-16(21)6-12-19/h1-13H/b22-13+
InChIKeyONKOXNUTJWCFJY-LPYMAVHISA-N
MW402.74 g/mol
LogP7.00
Rot. Bonds4

About N-(4-bromophenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine

N-(4-bromophenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine (PubChem CID 126104707) has the molecular formula C19H13BrClNS and a molecular weight of 402.74 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine.

Molecular Properties

Compound NameN-(4-bromophenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine
PubChem CID126104707
Molecular FormulaC19H13BrClNS
Molecular Weight402.74 g/mol
Exact Mass400.96
IUPAC NameN-(4-bromophenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine
SMILESClc1ccc(Sc2ccc(/C=N/c3ccc(Br)cc3)cc2)cc1
InChIInChI=1S/C19H13BrClNS/c20-15-3-7-17(8-4-15)22-13-14-1-9-18(10-2-14)23-19-11-5-16(21)6-12-19/h1-13H/b22-13+
InChIKeyONKOXNUTJWCFJY-LPYMAVHISA-N
XLogP7.00
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.74
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-bromophenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine 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 N-(4-bromophenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine?
The IUPAC name of N-(4-bromophenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine (CID 126104707) is N-(4-bromophenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine.
What is the SMILES notation for N-(4-bromophenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine?
The canonical SMILES for N-(4-bromophenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine is Clc1ccc(Sc2ccc(/C=N/c3ccc(Br)cc3)cc2)cc1.
What is the InChIKey of N-(4-bromophenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine?
The InChIKey is ONKOXNUTJWCFJY-LPYMAVHISA-N. The full InChI is InChI=1S/C19H13BrClNS/c20-15-3-7-17(8-4-15)22-13-14-1-9-18(10-2-14)23-19-11-5-16(21)6-12-19/h1-13H/b22-13+.
What are the key properties of N-(4-bromophenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine?
N-(4-bromophenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine has a molecular weight of 402.74 g/mol, XLogP of 7.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine is sourced from PubChem (CID 126104707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).