(4-methoxyphenyl)methyl 5-(diethylsulfamoyl)-2-fluorobenzoate

C19H22FNO5S — CID 16578035

IUPAC(4-methoxyphenyl)methyl 5-(diethylsulfamoyl)-2-fluorobenzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)OCc2ccc(OC)cc2)c1
InChIInChI=1S/C19H22FNO5S/c1-4-21(5-2)27(23,24)16-10-11-18(20)17(12-16)19(22)26-13-14-6-8-15(25-3)9-7-14/h6-12H,4-5,13H2,1-3H3
InChIKeyHSWGVJWWZWOFEF-UHFFFAOYSA-N
MW395.45 g/mol
LogP3.22
Rot. Bonds8

About (4-methoxyphenyl)methyl 5-(diethylsulfamoyl)-2-fluorobenzoate

(4-methoxyphenyl)methyl 5-(diethylsulfamoyl)-2-fluorobenzoate (PubChem CID 16578035) has the molecular formula C19H22FNO5S and a molecular weight of 395.45 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl 5-(diethylsulfamoyl)-2-fluorobenzoate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl 5-(diethylsulfamoyl)-2-fluorobenzoate
PubChem CID16578035
Molecular FormulaC19H22FNO5S
Molecular Weight395.45 g/mol
Exact Mass395.12
IUPAC Name(4-methoxyphenyl)methyl 5-(diethylsulfamoyl)-2-fluorobenzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)OCc2ccc(OC)cc2)c1
InChIInChI=1S/C19H22FNO5S/c1-4-21(5-2)27(23,24)16-10-11-18(20)17(12-16)19(22)26-13-14-6-8-15(25-3)9-7-14/h6-12H,4-5,13H2,1-3H3
InChIKeyHSWGVJWWZWOFEF-UHFFFAOYSA-N
XLogP3.22
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.45
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 5-(diethylsulfamoyl)-2-fluorobenzoate
CID 16580286
N-cyclopropyl-5-(diethylsulfamoyl)-2-fluoro-N-[(4-methoxyphenyl)methyl]benzamide
CID 31425302
(4-methoxy-2-nitrophenyl) 5-(diethylsulfamoyl)-2-fluorobenzoate
CID 55340511
(4-methoxycarbonylphenyl) 5-(diethylsulfamoyl)-2-fluorobenzoate
CID 8961276
pyridin-2-ylmethyl 5-(diethylsulfamoyl)-2-fluorobenzoate
CID 25311392
(4-cyanophenyl)methyl 5-(dimethylsulfamoyl)-2-fluorobenzoate
CID 7976380
2-(4-methoxyphenoxy)ethyl 5-(dimethylsulfamoyl)-2-fluorobenzoate
CID 7976122
(2-phenyl-1,3-thiazol-4-yl)methyl 5-(diethylsulfamoyl)-2-fluorobenzoate
CID 16512444
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 5-(diethylsulfamoyl)-2-fluorobenzoate
CID 16512419
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 5-(diethylsulfamoyl)-2-fluorobenzoate
CID 55309834
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 5-(diethylsulfamoyl)-2-fluorobenzoate
CID 16512481
5-(diethylsulfamoyl)-2-fluoro-N-[1-(4-methoxyphenyl)-2-methylpropyl]benzamide
CID 55395143

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl 5-(diethylsulfamoyl)-2-fluorobenzoate?
The IUPAC name of (4-methoxyphenyl)methyl 5-(diethylsulfamoyl)-2-fluorobenzoate (CID 16578035) is (4-methoxyphenyl)methyl 5-(diethylsulfamoyl)-2-fluorobenzoate.
What is the SMILES notation for (4-methoxyphenyl)methyl 5-(diethylsulfamoyl)-2-fluorobenzoate?
The canonical SMILES for (4-methoxyphenyl)methyl 5-(diethylsulfamoyl)-2-fluorobenzoate is CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)OCc2ccc(OC)cc2)c1.
What is the InChIKey of (4-methoxyphenyl)methyl 5-(diethylsulfamoyl)-2-fluorobenzoate?
The InChIKey is HSWGVJWWZWOFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO5S/c1-4-21(5-2)27(23,24)16-10-11-18(20)17(12-16)19(22)26-13-14-6-8-15(25-3)9-7-14/h6-12H,4-5,13H2,1-3H3.
What are the key properties of (4-methoxyphenyl)methyl 5-(diethylsulfamoyl)-2-fluorobenzoate?
(4-methoxyphenyl)methyl 5-(diethylsulfamoyl)-2-fluorobenzoate has a molecular weight of 395.45 g/mol, XLogP of 3.22, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl 5-(diethylsulfamoyl)-2-fluorobenzoate is sourced from PubChem (CID 16578035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).