[2-chloro-4-[2-(fluoromethoxy)phenyl]phenyl]-methyl-methylimino-oxo-λ6-sulfane

C15H15ClFNO2S — CID 137364071

IUPAC[2-chloro-4-[2-(fluoromethoxy)phenyl]phenyl]-methyl-methylimino-oxo-λ6-sulfane
SMILESCN=S(C)(=O)c1ccc(-c2ccccc2OCF)cc1Cl
InChIInChI=1S/C15H15ClFNO2S/c1-18-21(2,19)15-8-7-11(9-13(15)16)12-5-3-4-6-14(12)20-10-17/h3-9H,10H2,1-2H3
InChIKeyAPXJYKONNOJFIE-UHFFFAOYSA-N
MW327.81 g/mol
LogP4.40
Rot. Bonds4

About [2-chloro-4-[2-(fluoromethoxy)phenyl]phenyl]-methyl-methylimino-oxo-λ6-sulfane

[2-chloro-4-[2-(fluoromethoxy)phenyl]phenyl]-methyl-methylimino-oxo-λ6-sulfane (PubChem CID 137364071) has the molecular formula C15H15ClFNO2S and a molecular weight of 327.81 g/mol. Its IUPAC name is [2-chloro-4-[2-(fluoromethoxy)phenyl]phenyl]-methyl-methylimino-oxo-λ6-sulfane.

Molecular Properties

Compound Name[2-chloro-4-[2-(fluoromethoxy)phenyl]phenyl]-methyl-methylimino-oxo-λ6-sulfane
PubChem CID137364071
Molecular FormulaC15H15ClFNO2S
Molecular Weight327.81 g/mol
Exact Mass327.05
IUPAC Name[2-chloro-4-[2-(fluoromethoxy)phenyl]phenyl]-methyl-methylimino-oxo-λ6-sulfane
SMILESCN=S(C)(=O)c1ccc(-c2ccccc2OCF)cc1Cl
InChIInChI=1S/C15H15ClFNO2S/c1-18-21(2,19)15-8-7-11(9-13(15)16)12-5-3-4-6-14(12)20-10-17/h3-9H,10H2,1-2H3
InChIKeyAPXJYKONNOJFIE-UHFFFAOYSA-N
XLogP4.40
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-[2-(fluoromethoxy)phenyl]phenyl]-methyl-methylimino-oxo-λ6-sulfane?
The IUPAC name of [2-chloro-4-[2-(fluoromethoxy)phenyl]phenyl]-methyl-methylimino-oxo-λ6-sulfane (CID 137364071) is [2-chloro-4-[2-(fluoromethoxy)phenyl]phenyl]-methyl-methylimino-oxo-λ6-sulfane.
What is the SMILES notation for [2-chloro-4-[2-(fluoromethoxy)phenyl]phenyl]-methyl-methylimino-oxo-λ6-sulfane?
The canonical SMILES for [2-chloro-4-[2-(fluoromethoxy)phenyl]phenyl]-methyl-methylimino-oxo-λ6-sulfane is CN=S(C)(=O)c1ccc(-c2ccccc2OCF)cc1Cl.
What is the InChIKey of [2-chloro-4-[2-(fluoromethoxy)phenyl]phenyl]-methyl-methylimino-oxo-λ6-sulfane?
The InChIKey is APXJYKONNOJFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO2S/c1-18-21(2,19)15-8-7-11(9-13(15)16)12-5-3-4-6-14(12)20-10-17/h3-9H,10H2,1-2H3.
What are the key properties of [2-chloro-4-[2-(fluoromethoxy)phenyl]phenyl]-methyl-methylimino-oxo-λ6-sulfane?
[2-chloro-4-[2-(fluoromethoxy)phenyl]phenyl]-methyl-methylimino-oxo-λ6-sulfane has a molecular weight of 327.81 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-[2-(fluoromethoxy)phenyl]phenyl]-methyl-methylimino-oxo-λ6-sulfane is sourced from PubChem (CID 137364071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).