2-[4-(dimethylsulfamoyl)phenoxy]ethyl 3-fluoro-4-methylbenzoate

C18H20FNO5S — CID 9381384

IUPAC2-[4-(dimethylsulfamoyl)phenoxy]ethyl 3-fluoro-4-methylbenzoate
SMILESCc1ccc(C(=O)OCCOc2ccc(S(=O)(=O)N(C)C)cc2)cc1F
InChIInChI=1S/C18H20FNO5S/c1-13-4-5-14(12-17(13)19)18(21)25-11-10-24-15-6-8-16(9-7-15)26(22,23)20(2)3/h4-9,12H,10-11H2,1-3H3
InChIKeyORLSEFPVNKZIHQ-UHFFFAOYSA-N
MW381.43 g/mol
LogP2.62
Rot. Bonds7

About 2-[4-(dimethylsulfamoyl)phenoxy]ethyl 3-fluoro-4-methylbenzoate

2-[4-(dimethylsulfamoyl)phenoxy]ethyl 3-fluoro-4-methylbenzoate (PubChem CID 9381384) has the molecular formula C18H20FNO5S and a molecular weight of 381.43 g/mol. Its IUPAC name is 2-[4-(dimethylsulfamoyl)phenoxy]ethyl 3-fluoro-4-methylbenzoate.

Molecular Properties

Compound Name2-[4-(dimethylsulfamoyl)phenoxy]ethyl 3-fluoro-4-methylbenzoate
PubChem CID9381384
Molecular FormulaC18H20FNO5S
Molecular Weight381.43 g/mol
Exact Mass381.10
IUPAC Name2-[4-(dimethylsulfamoyl)phenoxy]ethyl 3-fluoro-4-methylbenzoate
SMILESCc1ccc(C(=O)OCCOc2ccc(S(=O)(=O)N(C)C)cc2)cc1F
InChIInChI=1S/C18H20FNO5S/c1-13-4-5-14(12-17(13)19)18(21)25-11-10-24-15-6-8-16(9-7-15)26(22,23)20(2)3/h4-9,12H,10-11H2,1-3H3
InChIKeyORLSEFPVNKZIHQ-UHFFFAOYSA-N
XLogP2.62
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.62
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-(4-chlorophenoxy)ethyl 4-(dimethylsulfamoyl)benzoate
CID 2602447
2-[4-(dimethylsulfamoyl)phenoxy]ethyl 4-bromo-2-fluorobenzoate
CID 33077530
2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-amino-4-fluorobenzoate
CID 25486421
2-(4-methoxyphenoxy)ethyl 5-(dimethylsulfamoyl)-2-fluorobenzoate
CID 7976122
2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2,5-dichlorobenzoate
CID 39412489
2-(2-methylphenoxy)ethyl 4-(dimethylsulfamoyl)benzoate
CID 9271702
2-[4-(dimethylsulfamoyl)phenoxy]ethyl 4-(5-methylpyrazol-1-yl)benzoate
CID 33073324
2-(4-methylphenoxy)ethyl 3-(diethylsulfamoyl)-4-methylbenzoate
CID 2545764
2-[4-(dimethylsulfamoyl)phenoxy]ethyl (2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)acetate
CID 97254165
2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-(4-ethylphenoxy)acetate
CID 39415083
2-(4-ethoxyphenoxy)ethyl 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 2648928
2-(4-cyanophenoxy)ethyl 4-methyl-3-sulfamoylbenzoate
CID 25434917

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylsulfamoyl)phenoxy]ethyl 3-fluoro-4-methylbenzoate?
The IUPAC name of 2-[4-(dimethylsulfamoyl)phenoxy]ethyl 3-fluoro-4-methylbenzoate (CID 9381384) is 2-[4-(dimethylsulfamoyl)phenoxy]ethyl 3-fluoro-4-methylbenzoate.
What is the SMILES notation for 2-[4-(dimethylsulfamoyl)phenoxy]ethyl 3-fluoro-4-methylbenzoate?
The canonical SMILES for 2-[4-(dimethylsulfamoyl)phenoxy]ethyl 3-fluoro-4-methylbenzoate is Cc1ccc(C(=O)OCCOc2ccc(S(=O)(=O)N(C)C)cc2)cc1F.
What is the InChIKey of 2-[4-(dimethylsulfamoyl)phenoxy]ethyl 3-fluoro-4-methylbenzoate?
The InChIKey is ORLSEFPVNKZIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO5S/c1-13-4-5-14(12-17(13)19)18(21)25-11-10-24-15-6-8-16(9-7-15)26(22,23)20(2)3/h4-9,12H,10-11H2,1-3H3.
What are the key properties of 2-[4-(dimethylsulfamoyl)phenoxy]ethyl 3-fluoro-4-methylbenzoate?
2-[4-(dimethylsulfamoyl)phenoxy]ethyl 3-fluoro-4-methylbenzoate has a molecular weight of 381.43 g/mol, XLogP of 2.62, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylsulfamoyl)phenoxy]ethyl 3-fluoro-4-methylbenzoate is sourced from PubChem (CID 9381384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).