(5-fluoro-2-methoxyphenyl)methyl 3-(methylsulfamoyl)benzoate

C16H16FNO5S — CID 9320186

IUPAC(5-fluoro-2-methoxyphenyl)methyl 3-(methylsulfamoyl)benzoate
SMILESCNS(=O)(=O)c1cccc(C(=O)OCc2cc(F)ccc2OC)c1
InChIInChI=1S/C16H16FNO5S/c1-18-24(20,21)14-5-3-4-11(9-14)16(19)23-10-12-8-13(17)6-7-15(12)22-2/h3-9,18H,10H2,1-2H3
InChIKeySGBLCPHTDSYNSR-UHFFFAOYSA-N
MW353.37 g/mol
LogP2.10
Rot. Bonds6

About (5-fluoro-2-methoxyphenyl)methyl 3-(methylsulfamoyl)benzoate

(5-fluoro-2-methoxyphenyl)methyl 3-(methylsulfamoyl)benzoate (PubChem CID 9320186) has the molecular formula C16H16FNO5S and a molecular weight of 353.37 g/mol. Its IUPAC name is (5-fluoro-2-methoxyphenyl)methyl 3-(methylsulfamoyl)benzoate.

Molecular Properties

Compound Name(5-fluoro-2-methoxyphenyl)methyl 3-(methylsulfamoyl)benzoate
PubChem CID9320186
Molecular FormulaC16H16FNO5S
Molecular Weight353.37 g/mol
Exact Mass353.07
IUPAC Name(5-fluoro-2-methoxyphenyl)methyl 3-(methylsulfamoyl)benzoate
SMILESCNS(=O)(=O)c1cccc(C(=O)OCc2cc(F)ccc2OC)c1
InChIInChI=1S/C16H16FNO5S/c1-18-24(20,21)14-5-3-4-11(9-14)16(19)23-10-12-8-13(17)6-7-15(12)22-2/h3-9,18H,10H2,1-2H3
InChIKeySGBLCPHTDSYNSR-UHFFFAOYSA-N
XLogP2.10
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-acetyl-2-methoxyphenyl)methyl 3-[(4-fluorophenyl)sulfamoyl]benzoate
CID 35808878
[2-(trifluoromethyl)phenyl]methyl 3-(methylsulfamoyl)benzoate
CID 2607771
(5-acetyl-2-methoxyphenyl)methyl 4-(methylsulfamoyl)benzoate
CID 46670202
(5-chloro-2-methoxyphenyl)methyl 2-fluoro-5-(methylsulfamoyl)benzoate
CID 18125528
(3-fluorophenyl)methyl 4-methoxy-3-(methylsulfamoyl)benzoate
CID 7974215
(2,3-difluorophenyl)methyl 4-methoxy-3-(methylsulfamoyl)benzoate
CID 9475074
(2-methoxy-5-methylphenyl)methyl 2-fluoro-5-(methylsulfamoyl)benzoate
CID 18125525
[2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 2121145
(2,5-dimethoxyphenyl)methyl 3-methoxybenzoate
CID 18155855
[2-(2,6-difluoroanilino)-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 2607644
(3-fluoro-4-methoxyphenyl)methyl 3-methylsulfonylbenzoate
CID 18082239
methyl 3-[[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]oxymethyl]benzoate
CID 30768646

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methoxyphenyl)methyl 3-(methylsulfamoyl)benzoate?
The IUPAC name of (5-fluoro-2-methoxyphenyl)methyl 3-(methylsulfamoyl)benzoate (CID 9320186) is (5-fluoro-2-methoxyphenyl)methyl 3-(methylsulfamoyl)benzoate.
What is the SMILES notation for (5-fluoro-2-methoxyphenyl)methyl 3-(methylsulfamoyl)benzoate?
The canonical SMILES for (5-fluoro-2-methoxyphenyl)methyl 3-(methylsulfamoyl)benzoate is CNS(=O)(=O)c1cccc(C(=O)OCc2cc(F)ccc2OC)c1.
What is the InChIKey of (5-fluoro-2-methoxyphenyl)methyl 3-(methylsulfamoyl)benzoate?
The InChIKey is SGBLCPHTDSYNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO5S/c1-18-24(20,21)14-5-3-4-11(9-14)16(19)23-10-12-8-13(17)6-7-15(12)22-2/h3-9,18H,10H2,1-2H3.
What are the key properties of (5-fluoro-2-methoxyphenyl)methyl 3-(methylsulfamoyl)benzoate?
(5-fluoro-2-methoxyphenyl)methyl 3-(methylsulfamoyl)benzoate has a molecular weight of 353.37 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methoxyphenyl)methyl 3-(methylsulfamoyl)benzoate is sourced from PubChem (CID 9320186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).