methyl 4-[(2-ethoxy-4-fluorophenyl)sulfamoyl]butanoate

C13H18FNO5S — CID 61460299

IUPACmethyl 4-[(2-ethoxy-4-fluorophenyl)sulfamoyl]butanoate
SMILESCCOc1cc(F)ccc1NS(=O)(=O)CCCC(=O)OC
InChIInChI=1S/C13H18FNO5S/c1-3-20-12-9-10(14)6-7-11(12)15-21(17,18)8-4-5-13(16)19-2/h6-7,9,15H,3-5,8H2,1-2H3
InChIKeyNPKHMWTXJMTXCR-UHFFFAOYSA-N
MW319.35 g/mol
LogP1.92
Rot. Bonds8

About methyl 4-[(2-ethoxy-4-fluorophenyl)sulfamoyl]butanoate

methyl 4-[(2-ethoxy-4-fluorophenyl)sulfamoyl]butanoate (PubChem CID 61460299) has the molecular formula C13H18FNO5S and a molecular weight of 319.35 g/mol. Its IUPAC name is methyl 4-[(2-ethoxy-4-fluorophenyl)sulfamoyl]butanoate.

Molecular Properties

Compound Namemethyl 4-[(2-ethoxy-4-fluorophenyl)sulfamoyl]butanoate
PubChem CID61460299
Molecular FormulaC13H18FNO5S
Molecular Weight319.35 g/mol
Exact Mass319.09
IUPAC Namemethyl 4-[(2-ethoxy-4-fluorophenyl)sulfamoyl]butanoate
SMILESCCOc1cc(F)ccc1NS(=O)(=O)CCCC(=O)OC
InChIInChI=1S/C13H18FNO5S/c1-3-20-12-9-10(14)6-7-11(12)15-21(17,18)8-4-5-13(16)19-2/h6-7,9,15H,3-5,8H2,1-2H3
InChIKeyNPKHMWTXJMTXCR-UHFFFAOYSA-N
XLogP1.92
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[(5-chloro-2-ethoxyphenyl)sulfamoyl]butanoate
CID 61460341
methyl 3-[(4-fluoro-2-hydroxyphenyl)sulfamoyl]propanoate
CID 63675600
methyl 4-[(2-fluoro-5-methylphenyl)sulfamoyl]butanoate
CID 61460150
methyl 4-[(2-hydroxy-4-methoxyphenyl)sulfamoyl]butanoate
CID 102695904
2-fluoro-6-[(4-methoxy-4-oxobutyl)sulfonylamino]benzoic acid
CID 61457587
4-[(4-fluoro-2-methylphenyl)sulfamoyl]butanoic acid
CID 28773802
methyl 4-[(2-methylsulfanylphenyl)sulfamoyl]butanoate
CID 61460153
methyl 4-[(2,6-difluorophenyl)sulfamoyl]butanoate
CID 61460236
methyl 4-[(3-amino-2,4-dimethylphenyl)sulfamoyl]butanoate
CID 61457341
methyl 4-[(4-carbamoyl-2-methylphenyl)sulfamoyl]butanoate
CID 61460295
1-(2-ethoxy-4-fluorophenyl)-3-methoxyurea
CID 75415528
4-[(5-chloro-2-ethoxyphenyl)sulfamoyl]butanoic acid
CID 60933027

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-ethoxy-4-fluorophenyl)sulfamoyl]butanoate?
The IUPAC name of methyl 4-[(2-ethoxy-4-fluorophenyl)sulfamoyl]butanoate (CID 61460299) is methyl 4-[(2-ethoxy-4-fluorophenyl)sulfamoyl]butanoate.
What is the SMILES notation for methyl 4-[(2-ethoxy-4-fluorophenyl)sulfamoyl]butanoate?
The canonical SMILES for methyl 4-[(2-ethoxy-4-fluorophenyl)sulfamoyl]butanoate is CCOc1cc(F)ccc1NS(=O)(=O)CCCC(=O)OC.
What is the InChIKey of methyl 4-[(2-ethoxy-4-fluorophenyl)sulfamoyl]butanoate?
The InChIKey is NPKHMWTXJMTXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO5S/c1-3-20-12-9-10(14)6-7-11(12)15-21(17,18)8-4-5-13(16)19-2/h6-7,9,15H,3-5,8H2,1-2H3.
What are the key properties of methyl 4-[(2-ethoxy-4-fluorophenyl)sulfamoyl]butanoate?
methyl 4-[(2-ethoxy-4-fluorophenyl)sulfamoyl]butanoate has a molecular weight of 319.35 g/mol, XLogP of 1.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-ethoxy-4-fluorophenyl)sulfamoyl]butanoate is sourced from PubChem (CID 61460299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).