2-(2-fluorophenoxy)ethyl 2-chloro-5-methylsulfonylbenzoate

C16H14ClFO5S — CID 7725840

IUPAC2-(2-fluorophenoxy)ethyl 2-chloro-5-methylsulfonylbenzoate
SMILESCS(=O)(=O)c1ccc(Cl)c(C(=O)OCCOc2ccccc2F)c1
InChIInChI=1S/C16H14ClFO5S/c1-24(20,21)11-6-7-13(17)12(10-11)16(19)23-9-8-22-15-5-3-2-4-14(15)18/h2-7,10H,8-9H2,1H3
InChIKeyUSEUKYNVKDMTRD-UHFFFAOYSA-N
MW372.80 g/mol
LogP3.12
Rot. Bonds6

About 2-(2-fluorophenoxy)ethyl 2-chloro-5-methylsulfonylbenzoate

2-(2-fluorophenoxy)ethyl 2-chloro-5-methylsulfonylbenzoate (PubChem CID 7725840) has the molecular formula C16H14ClFO5S and a molecular weight of 372.80 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)ethyl 2-chloro-5-methylsulfonylbenzoate.

Molecular Properties

Compound Name2-(2-fluorophenoxy)ethyl 2-chloro-5-methylsulfonylbenzoate
PubChem CID7725840
Molecular FormulaC16H14ClFO5S
Molecular Weight372.80 g/mol
Exact Mass372.02
IUPAC Name2-(2-fluorophenoxy)ethyl 2-chloro-5-methylsulfonylbenzoate
SMILESCS(=O)(=O)c1ccc(Cl)c(C(=O)OCCOc2ccccc2F)c1
InChIInChI=1S/C16H14ClFO5S/c1-24(20,21)11-6-7-13(17)12(10-11)16(19)23-9-8-22-15-5-3-2-4-14(15)18/h2-7,10H,8-9H2,1H3
InChIKeyUSEUKYNVKDMTRD-UHFFFAOYSA-N
XLogP3.12
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.80
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dichlorophenoxy)ethyl 2-chloro-5-methylsulfonylbenzoate
CID 2502520
2-(2-fluorophenoxy)ethyl 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate
CID 3281328
[2-(2-fluoroanilino)-2-oxoethyl] 2-chloro-5-methylsulfonylbenzoate
CID 2503213
2-(2-fluorophenoxy)ethyl 2-amino-3-chlorobenzoate
CID 31149133
2-(2-fluorophenoxy)ethyl 4-chloro-3-(methylsulfamoyl)benzoate
CID 9331852
2-(2,6-dichlorophenoxy)ethyl 2-methyl-5-methylsulfonylbenzoate
CID 7849697
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-chloro-5-methylsulfonylbenzoate
CID 2503054
(4,5-dimethoxy-2-methylphenyl)methyl 2-chloro-5-methylsulfonylbenzoate
CID 7466287
2-(2-fluorophenoxy)ethyl 4-methylbenzoate
CID 2363713
2-(4-sulfamoylphenoxy)ethyl 2-chloro-4,5-difluorobenzoate
CID 9229725
2-(2-fluorophenoxy)ethyl 4-(4-methylpiperidin-1-yl)sulfonylbenzoate
CID 7830613
[2-(methoxycarbonylamino)-2-oxoethyl] 2-chloro-5-methylsulfonylbenzoate
CID 7725690

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)ethyl 2-chloro-5-methylsulfonylbenzoate?
The IUPAC name of 2-(2-fluorophenoxy)ethyl 2-chloro-5-methylsulfonylbenzoate (CID 7725840) is 2-(2-fluorophenoxy)ethyl 2-chloro-5-methylsulfonylbenzoate.
What is the SMILES notation for 2-(2-fluorophenoxy)ethyl 2-chloro-5-methylsulfonylbenzoate?
The canonical SMILES for 2-(2-fluorophenoxy)ethyl 2-chloro-5-methylsulfonylbenzoate is CS(=O)(=O)c1ccc(Cl)c(C(=O)OCCOc2ccccc2F)c1.
What is the InChIKey of 2-(2-fluorophenoxy)ethyl 2-chloro-5-methylsulfonylbenzoate?
The InChIKey is USEUKYNVKDMTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFO5S/c1-24(20,21)11-6-7-13(17)12(10-11)16(19)23-9-8-22-15-5-3-2-4-14(15)18/h2-7,10H,8-9H2,1H3.
What are the key properties of 2-(2-fluorophenoxy)ethyl 2-chloro-5-methylsulfonylbenzoate?
2-(2-fluorophenoxy)ethyl 2-chloro-5-methylsulfonylbenzoate has a molecular weight of 372.80 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)ethyl 2-chloro-5-methylsulfonylbenzoate is sourced from PubChem (CID 7725840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).