1-fluoroethyl-(2-methylphenyl)imino-oxo-phenyl-λ6-sulfane

C15H16FNOS — CID 174737128

IUPAC1-fluoroethyl-(2-methylphenyl)imino-oxo-phenyl-λ6-sulfane
SMILESCc1ccccc1N=S(=O)(c1ccccc1)C(C)F
InChIInChI=1S/C15H16FNOS/c1-12-8-6-7-11-15(12)17-19(18,13(2)16)14-9-4-3-5-10-14/h3-11,13H,1-2H3
InChIKeyIPPVBQMOKJKUTP-UHFFFAOYSA-N
MW277.36 g/mol
LogP4.47
Rot. Bonds3

About 1-fluoroethyl-(2-methylphenyl)imino-oxo-phenyl-λ6-sulfane

1-fluoroethyl-(2-methylphenyl)imino-oxo-phenyl-λ6-sulfane (PubChem CID 174737128) has the molecular formula C15H16FNOS and a molecular weight of 277.36 g/mol. Its IUPAC name is 1-fluoroethyl-(2-methylphenyl)imino-oxo-phenyl-λ6-sulfane.

Molecular Properties

Compound Name1-fluoroethyl-(2-methylphenyl)imino-oxo-phenyl-λ6-sulfane
PubChem CID174737128
Molecular FormulaC15H16FNOS
Molecular Weight277.36 g/mol
Exact Mass277.09
IUPAC Name1-fluoroethyl-(2-methylphenyl)imino-oxo-phenyl-λ6-sulfane
SMILESCc1ccccc1N=S(=O)(c1ccccc1)C(C)F
InChIInChI=1S/C15H16FNOS/c1-12-8-6-7-11-15(12)17-19(18,13(2)16)14-9-4-3-5-10-14/h3-11,13H,1-2H3
InChIKeyIPPVBQMOKJKUTP-UHFFFAOYSA-N
XLogP4.47
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-fluoroethyl-(2-methylphenyl)imino-oxo-phenyl-λ6-sulfane?
The IUPAC name of 1-fluoroethyl-(2-methylphenyl)imino-oxo-phenyl-λ6-sulfane (CID 174737128) is 1-fluoroethyl-(2-methylphenyl)imino-oxo-phenyl-λ6-sulfane.
What is the SMILES notation for 1-fluoroethyl-(2-methylphenyl)imino-oxo-phenyl-λ6-sulfane?
The canonical SMILES for 1-fluoroethyl-(2-methylphenyl)imino-oxo-phenyl-λ6-sulfane is Cc1ccccc1N=S(=O)(c1ccccc1)C(C)F.
What is the InChIKey of 1-fluoroethyl-(2-methylphenyl)imino-oxo-phenyl-λ6-sulfane?
The InChIKey is IPPVBQMOKJKUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNOS/c1-12-8-6-7-11-15(12)17-19(18,13(2)16)14-9-4-3-5-10-14/h3-11,13H,1-2H3.
What are the key properties of 1-fluoroethyl-(2-methylphenyl)imino-oxo-phenyl-λ6-sulfane?
1-fluoroethyl-(2-methylphenyl)imino-oxo-phenyl-λ6-sulfane has a molecular weight of 277.36 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoroethyl-(2-methylphenyl)imino-oxo-phenyl-λ6-sulfane is sourced from PubChem (CID 174737128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).