2-(2-fluorophenoxy)ethyl 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate

C19H20Cl2FNO5S — CID 3281328

IUPAC2-(2-fluorophenoxy)ethyl 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate
SMILESCC(C)CNS(=O)(=O)c1cc(C(=O)OCCOc2ccccc2F)c(Cl)cc1Cl
InChIInChI=1S/C19H20Cl2FNO5S/c1-12(2)11-23-29(25,26)18-9-13(14(20)10-15(18)21)19(24)28-8-7-27-17-6-4-3-5-16(17)22/h3-6,9-10,12,23H,7-8,11H2,1-2H3
InChIKeyUFQVUEJLANBVEE-UHFFFAOYSA-N
MW464.34 g/mol
LogP4.30
Rot. Bonds9

About 2-(2-fluorophenoxy)ethyl 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate

2-(2-fluorophenoxy)ethyl 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate (PubChem CID 3281328) has the molecular formula C19H20Cl2FNO5S and a molecular weight of 464.34 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)ethyl 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate.

Molecular Properties

Compound Name2-(2-fluorophenoxy)ethyl 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate
PubChem CID3281328
Molecular FormulaC19H20Cl2FNO5S
Molecular Weight464.34 g/mol
Exact Mass463.04
IUPAC Name2-(2-fluorophenoxy)ethyl 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate
SMILESCC(C)CNS(=O)(=O)c1cc(C(=O)OCCOc2ccccc2F)c(Cl)cc1Cl
InChIInChI=1S/C19H20Cl2FNO5S/c1-12(2)11-23-29(25,26)18-9-13(14(20)10-15(18)21)19(24)28-8-7-27-17-6-4-3-5-16(17)22/h3-6,9-10,12,23H,7-8,11H2,1-2H3
InChIKeyUFQVUEJLANBVEE-UHFFFAOYSA-N
XLogP4.30
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.34
LogP ≤ 54.30
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 2-chloro-5-methylsulfonylbenzoate
CID 7725840
2-(2-fluorophenoxy)ethyl 4-chloro-3-(methylsulfamoyl)benzoate
CID 9331852
[2-(ethylamino)-2-oxoethyl] 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate
CID 2599609
[2-(4-ethylphenyl)-2-oxoethyl] 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate
CID 3553574
2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoic acid
CID 877955
2-(2-fluorophenoxy)ethyl 2-amino-3-chlorobenzoate
CID 31149133
[2-(ethoxycarbonylamino)-2-oxoethyl] 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate
CID 5212779
2,4-dichloro-N-[2-(3-fluorophenyl)ethyl]-5-(2-methylpropylsulfamoyl)benzamide
CID 78816219
[2-(azepan-1-yl)-2-oxoethyl] 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate
CID 3323439
2-(2-fluorophenoxy)ethyl (2S)-2-[(2,4-dichlorobenzoyl)amino]-3-methylbutanoate
CID 18230809
2-(2-fluorophenoxy)ethyl 4-methoxy-3-(methylsulfamoyl)benzoate
CID 7974266
2-(2-fluorophenoxy)ethyl 4-methylbenzoate
CID 2363713

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)ethyl 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate?
The IUPAC name of 2-(2-fluorophenoxy)ethyl 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate (CID 3281328) is 2-(2-fluorophenoxy)ethyl 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate.
What is the SMILES notation for 2-(2-fluorophenoxy)ethyl 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate?
The canonical SMILES for 2-(2-fluorophenoxy)ethyl 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate is CC(C)CNS(=O)(=O)c1cc(C(=O)OCCOc2ccccc2F)c(Cl)cc1Cl.
What is the InChIKey of 2-(2-fluorophenoxy)ethyl 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate?
The InChIKey is UFQVUEJLANBVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2FNO5S/c1-12(2)11-23-29(25,26)18-9-13(14(20)10-15(18)21)19(24)28-8-7-27-17-6-4-3-5-16(17)22/h3-6,9-10,12,23H,7-8,11H2,1-2H3.
What are the key properties of 2-(2-fluorophenoxy)ethyl 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate?
2-(2-fluorophenoxy)ethyl 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate has a molecular weight of 464.34 g/mol, XLogP of 4.30, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)ethyl 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate is sourced from PubChem (CID 3281328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).