ethyl 3-[(3-fluoro-4-methoxyphenyl)sulfonylamino]benzoate

C16H16FNO5S — CID 28633152

IUPACethyl 3-[(3-fluoro-4-methoxyphenyl)sulfonylamino]benzoate
SMILESCCOC(=O)c1cccc(NS(=O)(=O)c2ccc(OC)c(F)c2)c1
InChIInChI=1S/C16H16FNO5S/c1-3-23-16(19)11-5-4-6-12(9-11)18-24(20,21)13-7-8-15(22-2)14(17)10-13/h4-10,18H,3H2,1-2H3
InChIKeyRSTBMXVRFOJUKL-UHFFFAOYSA-N
MW353.37 g/mol
LogP2.81
Rot. Bonds6

About ethyl 3-[(3-fluoro-4-methoxyphenyl)sulfonylamino]benzoate

ethyl 3-[(3-fluoro-4-methoxyphenyl)sulfonylamino]benzoate (PubChem CID 28633152) has the molecular formula C16H16FNO5S and a molecular weight of 353.37 g/mol. Its IUPAC name is ethyl 3-[(3-fluoro-4-methoxyphenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Nameethyl 3-[(3-fluoro-4-methoxyphenyl)sulfonylamino]benzoate
PubChem CID28633152
Molecular FormulaC16H16FNO5S
Molecular Weight353.37 g/mol
Exact Mass353.07
IUPAC Nameethyl 3-[(3-fluoro-4-methoxyphenyl)sulfonylamino]benzoate
SMILESCCOC(=O)c1cccc(NS(=O)(=O)c2ccc(OC)c(F)c2)c1
InChIInChI=1S/C16H16FNO5S/c1-3-23-16(19)11-5-4-6-12(9-11)18-24(20,21)13-7-8-15(22-2)14(17)10-13/h4-10,18H,3H2,1-2H3
InChIKeyRSTBMXVRFOJUKL-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[(4-fluoro-3-methylphenyl)sulfonylamino]benzoate
CID 100694632
3-fluoro-4-methoxy-N-(3-methylphenyl)benzenesulfonamide
CID 19109258
diethyl 5-[(3,4-dimethoxyphenyl)sulfonylamino]benzene-1,3-dicarboxylate
CID 22773009
ethyl 3-[(3-fluoro-4-methoxybenzoyl)amino]benzoate
CID 9228357
ethyl 3-(phenylsulfamoyl)benzoate
CID 100552593
ethyl 3-[(4-propan-2-ylphenyl)sulfonylamino]benzoate
CID 8823779
ethyl 5-[(3-fluoro-4-methoxyphenyl)sulfamoyl]-2-(trifluoromethoxy)benzoate
CID 151740078
ethyl 4-[[3-[(2-methoxyphenyl)sulfamoyl]phenyl]sulfamoyl]benzoate
CID 3950325
ethyl 3-[(4-cyanophenyl)sulfonylamino]benzoate
CID 8823795
ethyl 3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]benzoate
CID 19683974
sodium N-(3-ethoxycarbonylphenyl)sulfamate
CID 23679809
ethyl 4-[(3-ethoxycarbonylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate
CID 6623746

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(3-fluoro-4-methoxyphenyl)sulfonylamino]benzoate?
The IUPAC name of ethyl 3-[(3-fluoro-4-methoxyphenyl)sulfonylamino]benzoate (CID 28633152) is ethyl 3-[(3-fluoro-4-methoxyphenyl)sulfonylamino]benzoate.
What is the SMILES notation for ethyl 3-[(3-fluoro-4-methoxyphenyl)sulfonylamino]benzoate?
The canonical SMILES for ethyl 3-[(3-fluoro-4-methoxyphenyl)sulfonylamino]benzoate is CCOC(=O)c1cccc(NS(=O)(=O)c2ccc(OC)c(F)c2)c1.
What is the InChIKey of ethyl 3-[(3-fluoro-4-methoxyphenyl)sulfonylamino]benzoate?
The InChIKey is RSTBMXVRFOJUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO5S/c1-3-23-16(19)11-5-4-6-12(9-11)18-24(20,21)13-7-8-15(22-2)14(17)10-13/h4-10,18H,3H2,1-2H3.
What are the key properties of ethyl 3-[(3-fluoro-4-methoxyphenyl)sulfonylamino]benzoate?
ethyl 3-[(3-fluoro-4-methoxyphenyl)sulfonylamino]benzoate has a molecular weight of 353.37 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(3-fluoro-4-methoxyphenyl)sulfonylamino]benzoate is sourced from PubChem (CID 28633152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).