1-(2-chloro-6-fluorophenyl)-N-[2-(4-methylphenyl)sulfanylphenyl]methanimine

C20H15ClFNS — CID 2731820

IUPAC1-(2-chloro-6-fluorophenyl)-N-[2-(4-methylphenyl)sulfanylphenyl]methanimine
SMILESCc1ccc(Sc2ccccc2/N=C/c2c(F)cccc2Cl)cc1
InChIInChI=1S/C20H15ClFNS/c1-14-9-11-15(12-10-14)24-20-8-3-2-7-19(20)23-13-16-17(21)5-4-6-18(16)22/h2-13H,1H3/b23-13+
InChIKeyDKCWOQDQSMSYPL-YDZHTSKRSA-N
MW355.87 g/mol
LogP6.69
Rot. Bonds4

About 1-(2-chloro-6-fluorophenyl)-N-[2-(4-methylphenyl)sulfanylphenyl]methanimine

1-(2-chloro-6-fluorophenyl)-N-[2-(4-methylphenyl)sulfanylphenyl]methanimine (PubChem CID 2731820) has the molecular formula C20H15ClFNS and a molecular weight of 355.87 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-N-[2-(4-methylphenyl)sulfanylphenyl]methanimine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-N-[2-(4-methylphenyl)sulfanylphenyl]methanimine
PubChem CID2731820
Molecular FormulaC20H15ClFNS
Molecular Weight355.87 g/mol
Exact Mass355.06
IUPAC Name1-(2-chloro-6-fluorophenyl)-N-[2-(4-methylphenyl)sulfanylphenyl]methanimine
SMILESCc1ccc(Sc2ccccc2/N=C/c2c(F)cccc2Cl)cc1
InChIInChI=1S/C20H15ClFNS/c1-14-9-11-15(12-10-14)24-20-8-3-2-7-19(20)23-13-16-17(21)5-4-6-18(16)22/h2-13H,1H3/b23-13+
InChIKeyDKCWOQDQSMSYPL-YDZHTSKRSA-N
XLogP6.69
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.87
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-[2-(4-methylphenyl)sulfanylphenyl]methanimine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-[2-(4-methylphenyl)sulfanylphenyl]methanimine (CID 2731820) is 1-(2-chloro-6-fluorophenyl)-N-[2-(4-methylphenyl)sulfanylphenyl]methanimine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-N-[2-(4-methylphenyl)sulfanylphenyl]methanimine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-N-[2-(4-methylphenyl)sulfanylphenyl]methanimine is Cc1ccc(Sc2ccccc2/N=C/c2c(F)cccc2Cl)cc1.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-N-[2-(4-methylphenyl)sulfanylphenyl]methanimine?
The InChIKey is DKCWOQDQSMSYPL-YDZHTSKRSA-N. The full InChI is InChI=1S/C20H15ClFNS/c1-14-9-11-15(12-10-14)24-20-8-3-2-7-19(20)23-13-16-17(21)5-4-6-18(16)22/h2-13H,1H3/b23-13+.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-N-[2-(4-methylphenyl)sulfanylphenyl]methanimine?
1-(2-chloro-6-fluorophenyl)-N-[2-(4-methylphenyl)sulfanylphenyl]methanimine has a molecular weight of 355.87 g/mol, XLogP of 6.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-N-[2-(4-methylphenyl)sulfanylphenyl]methanimine is sourced from PubChem (CID 2731820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).