N-(2-chlorophenyl)sulfanyl-1-(4-fluorophenyl)methanimine

C13H9ClFNS — CID 173470469

IUPACN-(2-chlorophenyl)sulfanyl-1-(4-fluorophenyl)methanimine
SMILESFc1ccc(C=NSc2ccccc2Cl)cc1
InChIInChI=1S/C13H9ClFNS/c14-12-3-1-2-4-13(12)17-16-9-10-5-7-11(15)8-6-10/h1-9H
InChIKeyJWXUWBNWHVBCLB-UHFFFAOYSA-N
MW265.74 g/mol
LogP4.61
Rot. Bonds3

About N-(2-chlorophenyl)sulfanyl-1-(4-fluorophenyl)methanimine

N-(2-chlorophenyl)sulfanyl-1-(4-fluorophenyl)methanimine (PubChem CID 173470469) has the molecular formula C13H9ClFNS and a molecular weight of 265.74 g/mol. Its IUPAC name is N-(2-chlorophenyl)sulfanyl-1-(4-fluorophenyl)methanimine.

Molecular Properties

Compound NameN-(2-chlorophenyl)sulfanyl-1-(4-fluorophenyl)methanimine
PubChem CID173470469
Molecular FormulaC13H9ClFNS
Molecular Weight265.74 g/mol
Exact Mass265.01
IUPAC NameN-(2-chlorophenyl)sulfanyl-1-(4-fluorophenyl)methanimine
SMILESFc1ccc(C=NSc2ccccc2Cl)cc1
InChIInChI=1S/C13H9ClFNS/c14-12-3-1-2-4-13(12)17-16-9-10-5-7-11(15)8-6-10/h1-9H
InChIKeyJWXUWBNWHVBCLB-UHFFFAOYSA-N
XLogP4.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)sulfanyl-1-(4-fluorophenyl)methanimine?
The IUPAC name of N-(2-chlorophenyl)sulfanyl-1-(4-fluorophenyl)methanimine (CID 173470469) is N-(2-chlorophenyl)sulfanyl-1-(4-fluorophenyl)methanimine.
What is the SMILES notation for N-(2-chlorophenyl)sulfanyl-1-(4-fluorophenyl)methanimine?
The canonical SMILES for N-(2-chlorophenyl)sulfanyl-1-(4-fluorophenyl)methanimine is Fc1ccc(C=NSc2ccccc2Cl)cc1.
What is the InChIKey of N-(2-chlorophenyl)sulfanyl-1-(4-fluorophenyl)methanimine?
The InChIKey is JWXUWBNWHVBCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNS/c14-12-3-1-2-4-13(12)17-16-9-10-5-7-11(15)8-6-10/h1-9H.
What are the key properties of N-(2-chlorophenyl)sulfanyl-1-(4-fluorophenyl)methanimine?
N-(2-chlorophenyl)sulfanyl-1-(4-fluorophenyl)methanimine has a molecular weight of 265.74 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)sulfanyl-1-(4-fluorophenyl)methanimine is sourced from PubChem (CID 173470469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).