2-(4-fluorophenoxy)ethyl 4-chloro-3-(methylsulfamoyl)benzoate

C16H15ClFNO5S — CID 9331974

IUPAC2-(4-fluorophenoxy)ethyl 4-chloro-3-(methylsulfamoyl)benzoate
SMILESCNS(=O)(=O)c1cc(C(=O)OCCOc2ccc(F)cc2)ccc1Cl
InChIInChI=1S/C16H15ClFNO5S/c1-19-25(21,22)15-10-11(2-7-14(15)17)16(20)24-9-8-23-13-5-3-12(18)4-6-13/h2-7,10,19H,8-9H2,1H3
InChIKeyBCYLQJZBRKPHFH-UHFFFAOYSA-N
MW387.82 g/mol
LogP2.62
Rot. Bonds7

About 2-(4-fluorophenoxy)ethyl 4-chloro-3-(methylsulfamoyl)benzoate

2-(4-fluorophenoxy)ethyl 4-chloro-3-(methylsulfamoyl)benzoate (PubChem CID 9331974) has the molecular formula C16H15ClFNO5S and a molecular weight of 387.82 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)ethyl 4-chloro-3-(methylsulfamoyl)benzoate.

Molecular Properties

Compound Name2-(4-fluorophenoxy)ethyl 4-chloro-3-(methylsulfamoyl)benzoate
PubChem CID9331974
Molecular FormulaC16H15ClFNO5S
Molecular Weight387.82 g/mol
Exact Mass387.03
IUPAC Name2-(4-fluorophenoxy)ethyl 4-chloro-3-(methylsulfamoyl)benzoate
SMILESCNS(=O)(=O)c1cc(C(=O)OCCOc2ccc(F)cc2)ccc1Cl
InChIInChI=1S/C16H15ClFNO5S/c1-19-25(21,22)15-10-11(2-7-14(15)17)16(20)24-9-8-23-13-5-3-12(18)4-6-13/h2-7,10,19H,8-9H2,1H3
InChIKeyBCYLQJZBRKPHFH-UHFFFAOYSA-N
XLogP2.62
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.82
LogP ≤ 52.62
H-Bond Donors ≤ 51
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-fluorophenoxy)ethyl 4-chloro-3-(methylsulfamoyl)benzoate
CID 9331852
[2-(4-fluoroanilino)-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate
CID 7823723
2-(4-chlorophenoxy)ethyl 4-methoxy-3-(methylsulfamoyl)benzoate
CID 7974148
3-(4-fluorophenoxy)propyl 2-chloro-5-(methylsulfamoyl)benzoate
CID 43056408
[2-(methylamino)-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate
CID 7823641
cyanomethyl 4-chloro-3-(methylsulfamoyl)benzoate
CID 9331722
3-(4-fluorophenoxy)propyl 4-chloro-3-(oxolan-2-ylmethylsulfamoyl)benzoate
CID 43022228
2-chloroprop-2-enyl 4-chloro-3-(methylsulfamoyl)benzoate
CID 27027293
phenacyl 4-chloro-3-(methylsulfamoyl)benzoate
CID 7823753
2-chloro-5-[[(4-ethoxybenzoyl)amino]carbamoyl]-N-methylbenzenesulfonamide
CID 9480366
2-(2-fluorophenoxy)ethyl 4-methoxy-3-(methylsulfamoyl)benzoate
CID 7974266
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate
CID 7823611

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)ethyl 4-chloro-3-(methylsulfamoyl)benzoate?
The IUPAC name of 2-(4-fluorophenoxy)ethyl 4-chloro-3-(methylsulfamoyl)benzoate (CID 9331974) is 2-(4-fluorophenoxy)ethyl 4-chloro-3-(methylsulfamoyl)benzoate.
What is the SMILES notation for 2-(4-fluorophenoxy)ethyl 4-chloro-3-(methylsulfamoyl)benzoate?
The canonical SMILES for 2-(4-fluorophenoxy)ethyl 4-chloro-3-(methylsulfamoyl)benzoate is CNS(=O)(=O)c1cc(C(=O)OCCOc2ccc(F)cc2)ccc1Cl.
What is the InChIKey of 2-(4-fluorophenoxy)ethyl 4-chloro-3-(methylsulfamoyl)benzoate?
The InChIKey is BCYLQJZBRKPHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO5S/c1-19-25(21,22)15-10-11(2-7-14(15)17)16(20)24-9-8-23-13-5-3-12(18)4-6-13/h2-7,10,19H,8-9H2,1H3.
What are the key properties of 2-(4-fluorophenoxy)ethyl 4-chloro-3-(methylsulfamoyl)benzoate?
2-(4-fluorophenoxy)ethyl 4-chloro-3-(methylsulfamoyl)benzoate has a molecular weight of 387.82 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)ethyl 4-chloro-3-(methylsulfamoyl)benzoate is sourced from PubChem (CID 9331974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).