4-chloro-2-fluoro-1-[(4-methylsulfonylphenoxy)methyl]benzene

C14H12ClFO3S — CID 154798923

IUPAC4-chloro-2-fluoro-1-[(4-methylsulfonylphenoxy)methyl]benzene
SMILESCS(=O)(=O)c1ccc(OCc2ccc(Cl)cc2F)cc1
InChIInChI=1S/C14H12ClFO3S/c1-20(17,18)13-6-4-12(5-7-13)19-9-10-2-3-11(15)8-14(10)16/h2-8H,9H2,1H3
InChIKeyBBRKQUWMGJPFPP-UHFFFAOYSA-N
MW314.77 g/mol
LogP3.46
Rot. Bonds4

About 4-chloro-2-fluoro-1-[(4-methylsulfonylphenoxy)methyl]benzene

4-chloro-2-fluoro-1-[(4-methylsulfonylphenoxy)methyl]benzene (PubChem CID 154798923) has the molecular formula C14H12ClFO3S and a molecular weight of 314.77 g/mol. Its IUPAC name is 4-chloro-2-fluoro-1-[(4-methylsulfonylphenoxy)methyl]benzene.

Molecular Properties

Compound Name4-chloro-2-fluoro-1-[(4-methylsulfonylphenoxy)methyl]benzene
PubChem CID154798923
Molecular FormulaC14H12ClFO3S
Molecular Weight314.77 g/mol
Exact Mass314.02
IUPAC Name4-chloro-2-fluoro-1-[(4-methylsulfonylphenoxy)methyl]benzene
SMILESCS(=O)(=O)c1ccc(OCc2ccc(Cl)cc2F)cc1
InChIInChI=1S/C14H12ClFO3S/c1-20(17,18)13-6-4-12(5-7-13)19-9-10-2-3-11(15)8-14(10)16/h2-8H,9H2,1H3
InChIKeyBBRKQUWMGJPFPP-UHFFFAOYSA-N
XLogP3.46
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-fluoro-1-[(4-methylsulfonylphenoxy)methyl]benzene
CID 47111059
3-fluoro-4-[(4-methylsulfonylphenoxy)methyl]benzonitrile
CID 43235125
4-chloro-1-[(4-ethylphenoxy)methyl]-2-fluorobenzene
CID 114860237
1-[(4-bromophenoxy)methyl]-4-chloro-2-fluorobenzene
CID 97046774
[4-fluoro-2-[(4-methylsulfonylphenoxy)methyl]phenyl]methanamine
CID 64763561
(1R)-1-[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanol
CID 104980144
(1R)-1-[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine
CID 104980107
3-[(4-chlorophenoxy)methyl]-1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrole
CID 10504537
N'-[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethane-1,2-diamine
CID 117097512
1-chloro-3-[2-(4-methylsulfonylphenoxy)ethoxy]benzene
CID 51191187
2-[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanethioamide
CID 114849176
N-[[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 114847795

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-1-[(4-methylsulfonylphenoxy)methyl]benzene?
The IUPAC name of 4-chloro-2-fluoro-1-[(4-methylsulfonylphenoxy)methyl]benzene (CID 154798923) is 4-chloro-2-fluoro-1-[(4-methylsulfonylphenoxy)methyl]benzene.
What is the SMILES notation for 4-chloro-2-fluoro-1-[(4-methylsulfonylphenoxy)methyl]benzene?
The canonical SMILES for 4-chloro-2-fluoro-1-[(4-methylsulfonylphenoxy)methyl]benzene is CS(=O)(=O)c1ccc(OCc2ccc(Cl)cc2F)cc1.
What is the InChIKey of 4-chloro-2-fluoro-1-[(4-methylsulfonylphenoxy)methyl]benzene?
The InChIKey is BBRKQUWMGJPFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFO3S/c1-20(17,18)13-6-4-12(5-7-13)19-9-10-2-3-11(15)8-14(10)16/h2-8H,9H2,1H3.
What are the key properties of 4-chloro-2-fluoro-1-[(4-methylsulfonylphenoxy)methyl]benzene?
4-chloro-2-fluoro-1-[(4-methylsulfonylphenoxy)methyl]benzene has a molecular weight of 314.77 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-1-[(4-methylsulfonylphenoxy)methyl]benzene is sourced from PubChem (CID 154798923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).