4-fluoro-3-[2-(2-methoxyphenyl)ethylsulfamoyl]benzoate

C16H15FNO5S- — CID 9160272

IUPAC4-fluoro-3-[2-(2-methoxyphenyl)ethylsulfamoyl]benzoate
SMILESCOc1ccccc1CCNS(=O)(=O)c1cc(C(=O)[O-])ccc1F
InChIInChI=1S/C16H16FNO5S/c1-23-14-5-3-2-4-11(14)8-9-18-24(21,22)15-10-12(16(19)20)6-7-13(15)17/h2-7,10,18H,8-9H2,1H3,(H,19,20)/p-1
InChIKeyKISUYYVNJLGLHI-UHFFFAOYSA-M
MW352.36 g/mol
LogP0.72
Rot. Bonds7

About 4-fluoro-3-[2-(2-methoxyphenyl)ethylsulfamoyl]benzoate

4-fluoro-3-[2-(2-methoxyphenyl)ethylsulfamoyl]benzoate (PubChem CID 9160272) has the molecular formula C16H15FNO5S- and a molecular weight of 352.36 g/mol. Its IUPAC name is 4-fluoro-3-[2-(2-methoxyphenyl)ethylsulfamoyl]benzoate.

Molecular Properties

Compound Name4-fluoro-3-[2-(2-methoxyphenyl)ethylsulfamoyl]benzoate
PubChem CID9160272
Molecular FormulaC16H15FNO5S-
Molecular Weight352.36 g/mol
Exact Mass352.07
IUPAC Name4-fluoro-3-[2-(2-methoxyphenyl)ethylsulfamoyl]benzoate
SMILESCOc1ccccc1CCNS(=O)(=O)c1cc(C(=O)[O-])ccc1F
InChIInChI=1S/C16H16FNO5S/c1-23-14-5-3-2-4-11(14)8-9-18-24(21,22)15-10-12(16(19)20)6-7-13(15)17/h2-7,10,18H,8-9H2,1H3,(H,19,20)/p-1
InChIKeyKISUYYVNJLGLHI-UHFFFAOYSA-M
XLogP0.72
TPSA95.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-3-(2-methoxyethylsulfamoyl)benzoate
CID 9160422
3-[(2-ethoxyphenyl)methylsulfamoyl]-4-fluorobenzoate
CID 9160157
N-[2-(2-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 51178792
3-[2-(4-ethylphenyl)ethylsulfamoyl]-4-fluorobenzoate
CID 9160269
4-methoxy-3-(2-methoxyethylsulfamoyl)benzoate
CID 2119868
N-[2-(2-methoxyphenyl)ethyl]-2-methyl-5-methylsulfonylbenzenesulfonamide
CID 55907776
4-[2-(2-methoxyphenyl)ethylsulfamoyl]-N-(2-methylpropyl)benzamide
CID 109058831
4-fluoro-3-(2-phenylethylsulfamoyl)benzoic acid
CID 3490945
N-butan-2-yl-4-[2-(2-methoxyphenyl)ethylsulfamoyl]benzamide
CID 109059025
4-fluoro-3-[2-(4-methoxyphenyl)ethylsulfamoyl]benzoic acid
CID 9160344
3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylsulfamoyl]-4-fluorobenzoate
CID 9160397
N-[2-(5-fluoro-2-methoxyphenyl)ethyl]benzenesulfonamide
CID 110787683

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[2-(2-methoxyphenyl)ethylsulfamoyl]benzoate?
The IUPAC name of 4-fluoro-3-[2-(2-methoxyphenyl)ethylsulfamoyl]benzoate (CID 9160272) is 4-fluoro-3-[2-(2-methoxyphenyl)ethylsulfamoyl]benzoate.
What is the SMILES notation for 4-fluoro-3-[2-(2-methoxyphenyl)ethylsulfamoyl]benzoate?
The canonical SMILES for 4-fluoro-3-[2-(2-methoxyphenyl)ethylsulfamoyl]benzoate is COc1ccccc1CCNS(=O)(=O)c1cc(C(=O)[O-])ccc1F.
What is the InChIKey of 4-fluoro-3-[2-(2-methoxyphenyl)ethylsulfamoyl]benzoate?
The InChIKey is KISUYYVNJLGLHI-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H16FNO5S/c1-23-14-5-3-2-4-11(14)8-9-18-24(21,22)15-10-12(16(19)20)6-7-13(15)17/h2-7,10,18H,8-9H2,1H3,(H,19,20)/p-1.
What are the key properties of 4-fluoro-3-[2-(2-methoxyphenyl)ethylsulfamoyl]benzoate?
4-fluoro-3-[2-(2-methoxyphenyl)ethylsulfamoyl]benzoate has a molecular weight of 352.36 g/mol, XLogP of 0.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[2-(2-methoxyphenyl)ethylsulfamoyl]benzoate is sourced from PubChem (CID 9160272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).