1-(2-chloro-5-ethylsulfinylphenyl)-3-ethyl-2-fluorobenzene

C16H16ClFOS — CID 118333865

IUPAC1-(2-chloro-5-ethylsulfinylphenyl)-3-ethyl-2-fluorobenzene
SMILESCCc1cccc(-c2cc(S(=O)CC)ccc2Cl)c1F
InChIInChI=1S/C16H16ClFOS/c1-3-11-6-5-7-13(16(11)18)14-10-12(20(19)4-2)8-9-15(14)17/h5-10H,3-4H2,1-2H3
InChIKeyBOYMXHYXAZUEPA-UHFFFAOYSA-N
MW310.82 g/mol
LogP4.84
Rot. Bonds4

About 1-(2-chloro-5-ethylsulfinylphenyl)-3-ethyl-2-fluorobenzene

1-(2-chloro-5-ethylsulfinylphenyl)-3-ethyl-2-fluorobenzene (PubChem CID 118333865) has the molecular formula C16H16ClFOS and a molecular weight of 310.82 g/mol. Its IUPAC name is 1-(2-chloro-5-ethylsulfinylphenyl)-3-ethyl-2-fluorobenzene.

Molecular Properties

Compound Name1-(2-chloro-5-ethylsulfinylphenyl)-3-ethyl-2-fluorobenzene
PubChem CID118333865
Molecular FormulaC16H16ClFOS
Molecular Weight310.82 g/mol
Exact Mass310.06
IUPAC Name1-(2-chloro-5-ethylsulfinylphenyl)-3-ethyl-2-fluorobenzene
SMILESCCc1cccc(-c2cc(S(=O)CC)ccc2Cl)c1F
InChIInChI=1S/C16H16ClFOS/c1-3-11-6-5-7-13(16(11)18)14-10-12(20(19)4-2)8-9-15(14)17/h5-10H,3-4H2,1-2H3
InChIKeyBOYMXHYXAZUEPA-UHFFFAOYSA-N
XLogP4.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(2-chloro-5-ethylsulfinylphenyl)-3-ethyl-2-fluorobenzene 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 1-(2-chloro-5-ethylsulfinylphenyl)-3-ethyl-2-fluorobenzene?
The IUPAC name of 1-(2-chloro-5-ethylsulfinylphenyl)-3-ethyl-2-fluorobenzene (CID 118333865) is 1-(2-chloro-5-ethylsulfinylphenyl)-3-ethyl-2-fluorobenzene.
What is the SMILES notation for 1-(2-chloro-5-ethylsulfinylphenyl)-3-ethyl-2-fluorobenzene?
The canonical SMILES for 1-(2-chloro-5-ethylsulfinylphenyl)-3-ethyl-2-fluorobenzene is CCc1cccc(-c2cc(S(=O)CC)ccc2Cl)c1F.
What is the InChIKey of 1-(2-chloro-5-ethylsulfinylphenyl)-3-ethyl-2-fluorobenzene?
The InChIKey is BOYMXHYXAZUEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFOS/c1-3-11-6-5-7-13(16(11)18)14-10-12(20(19)4-2)8-9-15(14)17/h5-10H,3-4H2,1-2H3.
What are the key properties of 1-(2-chloro-5-ethylsulfinylphenyl)-3-ethyl-2-fluorobenzene?
1-(2-chloro-5-ethylsulfinylphenyl)-3-ethyl-2-fluorobenzene has a molecular weight of 310.82 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-ethylsulfinylphenyl)-3-ethyl-2-fluorobenzene is sourced from PubChem (CID 118333865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).