(5-chloro-2-methoxyphenyl)methyl 2-fluoro-5-(methylsulfamoyl)benzoate

C16H15ClFNO5S — CID 18125528

IUPAC(5-chloro-2-methoxyphenyl)methyl 2-fluoro-5-(methylsulfamoyl)benzoate
SMILESCNS(=O)(=O)c1ccc(F)c(C(=O)OCc2cc(Cl)ccc2OC)c1
InChIInChI=1S/C16H15ClFNO5S/c1-19-25(21,22)12-4-5-14(18)13(8-12)16(20)24-9-10-7-11(17)3-6-15(10)23-2/h3-8,19H,9H2,1-2H3
InChIKeyWNRUCUYTJVDZAA-UHFFFAOYSA-N
MW387.82 g/mol
LogP2.75
Rot. Bonds6

About (5-chloro-2-methoxyphenyl)methyl 2-fluoro-5-(methylsulfamoyl)benzoate

(5-chloro-2-methoxyphenyl)methyl 2-fluoro-5-(methylsulfamoyl)benzoate (PubChem CID 18125528) has the molecular formula C16H15ClFNO5S and a molecular weight of 387.82 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)methyl 2-fluoro-5-(methylsulfamoyl)benzoate.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)methyl 2-fluoro-5-(methylsulfamoyl)benzoate
PubChem CID18125528
Molecular FormulaC16H15ClFNO5S
Molecular Weight387.82 g/mol
Exact Mass387.03
IUPAC Name(5-chloro-2-methoxyphenyl)methyl 2-fluoro-5-(methylsulfamoyl)benzoate
SMILESCNS(=O)(=O)c1ccc(F)c(C(=O)OCc2cc(Cl)ccc2OC)c1
InChIInChI=1S/C16H15ClFNO5S/c1-19-25(21,22)12-4-5-14(18)13(8-12)16(20)24-9-10-7-11(17)3-6-15(10)23-2/h3-8,19H,9H2,1-2H3
InChIKeyWNRUCUYTJVDZAA-UHFFFAOYSA-N
XLogP2.75
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.82
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methoxy-5-methylphenyl)methyl 2-fluoro-5-(methylsulfamoyl)benzoate
CID 18125525
(4-chlorophenyl)methyl 2-fluoro-5-(methylsulfamoyl)benzoate
CID 18125487
(4-bromophenyl)methyl 2-fluoro-5-(methylsulfamoyl)benzoate
CID 46663557
(5-fluoro-2-methoxyphenyl)methyl 3-(methylsulfamoyl)benzoate
CID 9320186
(5-acetyl-2-methoxyphenyl)methyl 5-(dimethylsulfamoyl)-2-fluorobenzoate
CID 7976209
butyl 2-fluoro-5-(methylsulfamoyl)benzoate
CID 18169512
(5-acetyl-2-methoxyphenyl)methyl 4-(methylsulfamoyl)benzoate
CID 46670202
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-fluoro-5-(methylsulfamoyl)benzoate
CID 18286547
(4,5-dimethoxy-2-methylphenyl)methyl 5-chloro-2-fluorobenzoate
CID 8620660
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-fluoro-5-(methylsulfamoyl)benzoate
CID 30272893
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-fluoro-5-(methylsulfamoyl)benzoate
CID 18125497
[2-(4-methoxyanilino)-2-oxoethyl] 2-fluoro-5-(methylsulfamoyl)benzoate
CID 18085306

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)methyl 2-fluoro-5-(methylsulfamoyl)benzoate?
The IUPAC name of (5-chloro-2-methoxyphenyl)methyl 2-fluoro-5-(methylsulfamoyl)benzoate (CID 18125528) is (5-chloro-2-methoxyphenyl)methyl 2-fluoro-5-(methylsulfamoyl)benzoate.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)methyl 2-fluoro-5-(methylsulfamoyl)benzoate?
The canonical SMILES for (5-chloro-2-methoxyphenyl)methyl 2-fluoro-5-(methylsulfamoyl)benzoate is CNS(=O)(=O)c1ccc(F)c(C(=O)OCc2cc(Cl)ccc2OC)c1.
What is the InChIKey of (5-chloro-2-methoxyphenyl)methyl 2-fluoro-5-(methylsulfamoyl)benzoate?
The InChIKey is WNRUCUYTJVDZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO5S/c1-19-25(21,22)12-4-5-14(18)13(8-12)16(20)24-9-10-7-11(17)3-6-15(10)23-2/h3-8,19H,9H2,1-2H3.
What are the key properties of (5-chloro-2-methoxyphenyl)methyl 2-fluoro-5-(methylsulfamoyl)benzoate?
(5-chloro-2-methoxyphenyl)methyl 2-fluoro-5-(methylsulfamoyl)benzoate has a molecular weight of 387.82 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)methyl 2-fluoro-5-(methylsulfamoyl)benzoate is sourced from PubChem (CID 18125528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).