(2-methoxy-5-methylphenyl)methyl 2-fluoro-5-(methylsulfamoyl)benzoate

C17H18FNO5S — CID 18125525

IUPAC(2-methoxy-5-methylphenyl)methyl 2-fluoro-5-(methylsulfamoyl)benzoate
SMILESCNS(=O)(=O)c1ccc(F)c(C(=O)OCc2cc(C)ccc2OC)c1
InChIInChI=1S/C17H18FNO5S/c1-11-4-7-16(23-3)12(8-11)10-24-17(20)14-9-13(5-6-15(14)18)25(21,22)19-2/h4-9,19H,10H2,1-3H3
InChIKeyFHIUPQJCGDYADA-UHFFFAOYSA-N
MW367.40 g/mol
LogP2.41
Rot. Bonds6

About (2-methoxy-5-methylphenyl)methyl 2-fluoro-5-(methylsulfamoyl)benzoate

(2-methoxy-5-methylphenyl)methyl 2-fluoro-5-(methylsulfamoyl)benzoate (PubChem CID 18125525) has the molecular formula C17H18FNO5S and a molecular weight of 367.40 g/mol. Its IUPAC name is (2-methoxy-5-methylphenyl)methyl 2-fluoro-5-(methylsulfamoyl)benzoate.

Molecular Properties

Compound Name(2-methoxy-5-methylphenyl)methyl 2-fluoro-5-(methylsulfamoyl)benzoate
PubChem CID18125525
Molecular FormulaC17H18FNO5S
Molecular Weight367.40 g/mol
Exact Mass367.09
IUPAC Name(2-methoxy-5-methylphenyl)methyl 2-fluoro-5-(methylsulfamoyl)benzoate
SMILESCNS(=O)(=O)c1ccc(F)c(C(=O)OCc2cc(C)ccc2OC)c1
InChIInChI=1S/C17H18FNO5S/c1-11-4-7-16(23-3)12(8-11)10-24-17(20)14-9-13(5-6-15(14)18)25(21,22)19-2/h4-9,19H,10H2,1-3H3
InChIKeyFHIUPQJCGDYADA-UHFFFAOYSA-N
XLogP2.41
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-chloro-2-methoxyphenyl)methyl 2-fluoro-5-(methylsulfamoyl)benzoate
CID 18125528
(4-chlorophenyl)methyl 2-fluoro-5-(methylsulfamoyl)benzoate
CID 18125487
[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-fluoro-5-(methylsulfamoyl)benzoate
CID 18091865
(4-bromophenyl)methyl 2-fluoro-5-(methylsulfamoyl)benzoate
CID 46663557
(5-fluoro-2-methoxyphenyl)methyl 3-(methylsulfamoyl)benzoate
CID 9320186
(2-methoxy-5-methylphenyl)methyl 2-amino-5-chlorobenzoate
CID 63450676
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-fluoro-5-(methylsulfamoyl)benzoate
CID 30272893
(5-acetyl-2-methoxyphenyl)methyl 5-(dimethylsulfamoyl)-2-fluorobenzoate
CID 7976209
butyl 2-fluoro-5-(methylsulfamoyl)benzoate
CID 18169512
(2-methoxy-5-methylphenyl)methyl 4-methylsulfonylbenzoate
CID 8955135
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-fluoro-5-(methylsulfamoyl)benzoate
CID 18125497
(5-acetyl-2-methoxyphenyl)methyl 4-(methylsulfamoyl)benzoate
CID 46670202

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-5-methylphenyl)methyl 2-fluoro-5-(methylsulfamoyl)benzoate?
The IUPAC name of (2-methoxy-5-methylphenyl)methyl 2-fluoro-5-(methylsulfamoyl)benzoate (CID 18125525) is (2-methoxy-5-methylphenyl)methyl 2-fluoro-5-(methylsulfamoyl)benzoate.
What is the SMILES notation for (2-methoxy-5-methylphenyl)methyl 2-fluoro-5-(methylsulfamoyl)benzoate?
The canonical SMILES for (2-methoxy-5-methylphenyl)methyl 2-fluoro-5-(methylsulfamoyl)benzoate is CNS(=O)(=O)c1ccc(F)c(C(=O)OCc2cc(C)ccc2OC)c1.
What is the InChIKey of (2-methoxy-5-methylphenyl)methyl 2-fluoro-5-(methylsulfamoyl)benzoate?
The InChIKey is FHIUPQJCGDYADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO5S/c1-11-4-7-16(23-3)12(8-11)10-24-17(20)14-9-13(5-6-15(14)18)25(21,22)19-2/h4-9,19H,10H2,1-3H3.
What are the key properties of (2-methoxy-5-methylphenyl)methyl 2-fluoro-5-(methylsulfamoyl)benzoate?
(2-methoxy-5-methylphenyl)methyl 2-fluoro-5-(methylsulfamoyl)benzoate has a molecular weight of 367.40 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-5-methylphenyl)methyl 2-fluoro-5-(methylsulfamoyl)benzoate is sourced from PubChem (CID 18125525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).