1-(5-chloro-2-methoxyphenyl)-4-ethylsulfonyl-2-fluorobenzene

C15H14ClFO3S — CID 86723264

IUPAC1-(5-chloro-2-methoxyphenyl)-4-ethylsulfonyl-2-fluorobenzene
SMILESCCS(=O)(=O)c1ccc(-c2cc(Cl)ccc2OC)c(F)c1
InChIInChI=1S/C15H14ClFO3S/c1-3-21(18,19)11-5-6-12(14(17)9-11)13-8-10(16)4-7-15(13)20-2/h4-9H,3H2,1-2H3
InChIKeyFQMNBFJOYHVFEE-UHFFFAOYSA-N
MW328.79 g/mol
LogP3.95
Rot. Bonds4

About 1-(5-chloro-2-methoxyphenyl)-4-ethylsulfonyl-2-fluorobenzene

1-(5-chloro-2-methoxyphenyl)-4-ethylsulfonyl-2-fluorobenzene (PubChem CID 86723264) has the molecular formula C15H14ClFO3S and a molecular weight of 328.79 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-4-ethylsulfonyl-2-fluorobenzene.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-4-ethylsulfonyl-2-fluorobenzene
PubChem CID86723264
Molecular FormulaC15H14ClFO3S
Molecular Weight328.79 g/mol
Exact Mass328.03
IUPAC Name1-(5-chloro-2-methoxyphenyl)-4-ethylsulfonyl-2-fluorobenzene
SMILESCCS(=O)(=O)c1ccc(-c2cc(Cl)ccc2OC)c(F)c1
InChIInChI=1S/C15H14ClFO3S/c1-3-21(18,19)11-5-6-12(14(17)9-11)13-8-10(16)4-7-15(13)20-2/h4-9H,3H2,1-2H3
InChIKeyFQMNBFJOYHVFEE-UHFFFAOYSA-N
XLogP3.95
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.79
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Chloro-4-[2-(4-methanesulfonyl-phenyl)-cyclopent-1-enyl]-1-methoxy-benzene
CID 9947111
1-(3-Chloro-4-methoxyphenyl)-4,5-difluoro-2-[4-(methylsulfonyl)phenyl]benzene
CID 10716420
{[5-Chloro-4'-(ethylsulfonyl)biphenyl-2-yl]oxy}acetic acid
CID 11325699
4-(4-Chlorophenyl)sulfonyl-5,8-difluoro-4-methyl-2,3-dihydrochromene
CID 24875617
4-(4-Chlorophenyl)sulfonyl-4-ethyl-5,8-difluoro-2,3-dihydrochromene
CID 24875895
(3S,4R)-4-(4-chlorophenyl)sulfonyl-5,8-difluoro-3-methyl-3,4-dihydro-2H-chromene
CID 46884829
2-(5-Chloro-4''-(ethylsulfonyl)-2''-fluorobiphenyl-2-yloxy)acetic acid
CID 54585642
3-(3-Chloro-4-methoxyphenyl)-1,2-difluoro-4-(4-methylsulfonylphenyl)benzene
CID 44394275
1,3-Dichloro-5-[(4-ethylsulfonylphenyl)methoxymethyl]-2-[2-(trifluoromethoxy)phenyl]benzene
CID 162665258
1-(Fluoromethoxy)-2-(4-methylsulfinylphenyl)benzene
CID 137364059
1-[(E)-2-(3-chlorophenyl)ethenyl]sulfonyl-2-methoxybenzene
CID 76310928
1-chloro-3-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]benzene
CID 76314570

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-4-ethylsulfonyl-2-fluorobenzene?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-4-ethylsulfonyl-2-fluorobenzene (CID 86723264) is 1-(5-chloro-2-methoxyphenyl)-4-ethylsulfonyl-2-fluorobenzene.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-4-ethylsulfonyl-2-fluorobenzene?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-4-ethylsulfonyl-2-fluorobenzene is CCS(=O)(=O)c1ccc(-c2cc(Cl)ccc2OC)c(F)c1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-4-ethylsulfonyl-2-fluorobenzene?
The InChIKey is FQMNBFJOYHVFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFO3S/c1-3-21(18,19)11-5-6-12(14(17)9-11)13-8-10(16)4-7-15(13)20-2/h4-9H,3H2,1-2H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-4-ethylsulfonyl-2-fluorobenzene?
1-(5-chloro-2-methoxyphenyl)-4-ethylsulfonyl-2-fluorobenzene has a molecular weight of 328.79 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-4-ethylsulfonyl-2-fluorobenzene is sourced from PubChem (CID 86723264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).