ethyl 2-[(3-amino-5-fluoro-4-methoxyphenyl)sulfonylamino]acetate

C11H15FN2O5S — CID 114625222

IUPACethyl 2-[(3-amino-5-fluoro-4-methoxyphenyl)sulfonylamino]acetate
SMILESCCOC(=O)CNS(=O)(=O)c1cc(N)c(OC)c(F)c1
InChIInChI=1S/C11H15FN2O5S/c1-3-19-10(15)6-14-20(16,17)7-4-8(12)11(18-2)9(13)5-7/h4-5,14H,3,6,13H2,1-2H3
InChIKeyINMSOLYYZPDFMH-UHFFFAOYSA-N
MW306.32 g/mol
LogP0.26
Rot. Bonds6

About ethyl 2-[(3-amino-5-fluoro-4-methoxyphenyl)sulfonylamino]acetate

ethyl 2-[(3-amino-5-fluoro-4-methoxyphenyl)sulfonylamino]acetate (PubChem CID 114625222) has the molecular formula C11H15FN2O5S and a molecular weight of 306.32 g/mol. Its IUPAC name is ethyl 2-[(3-amino-5-fluoro-4-methoxyphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-amino-5-fluoro-4-methoxyphenyl)sulfonylamino]acetate
PubChem CID114625222
Molecular FormulaC11H15FN2O5S
Molecular Weight306.32 g/mol
Exact Mass306.07
IUPAC Nameethyl 2-[(3-amino-5-fluoro-4-methoxyphenyl)sulfonylamino]acetate
SMILESCCOC(=O)CNS(=O)(=O)c1cc(N)c(OC)c(F)c1
InChIInChI=1S/C11H15FN2O5S/c1-3-19-10(15)6-14-20(16,17)7-4-8(12)11(18-2)9(13)5-7/h4-5,14H,3,6,13H2,1-2H3
InChIKeyINMSOLYYZPDFMH-UHFFFAOYSA-N
XLogP0.26
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-5-fluoro-N-(2-hydroxybutyl)-4-methoxybenzenesulfonamide
CID 114626199
3-amino-N-(2-ethyl-4-hydroxybutyl)-5-fluoro-4-methoxybenzenesulfonamide
CID 114625939
(3-amino-5-fluoro-4-methoxyphenyl)sulfonylurea
CID 114626312
3-amino-N-(2-ethylbutyl)-5-fluoro-4-methoxybenzenesulfonamide
CID 114626258
5-[(3-amino-5-fluoro-4-methoxyphenyl)sulfonylamino]pentanamide
CID 106233682
ethyl 2-[(3-amino-5-fluorophenyl)sulfonylamino]acetate
CID 63321745
3-amino-5-fluoro-4-methoxy-N-(2-methoxypropyl)benzenesulfonamide
CID 102694383
3-amino-5-fluoro-4-methoxy-N-(2-sulfamoylethyl)benzenesulfonamide
CID 114625133
3-amino-5-fluoro-4-methoxy-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 114625412
ethyl 2-[(4-bromo-3-fluorophenyl)sulfonylamino]acetate
CID 113242602
2-chloro-5-[(2-ethoxy-2-oxoethyl)sulfamoyl]-3-fluorobenzoic acid
CID 81452105
3-amino-5-fluoro-N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-methoxybenzenesulfonamide
CID 106308791

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-amino-5-fluoro-4-methoxyphenyl)sulfonylamino]acetate?
The IUPAC name of ethyl 2-[(3-amino-5-fluoro-4-methoxyphenyl)sulfonylamino]acetate (CID 114625222) is ethyl 2-[(3-amino-5-fluoro-4-methoxyphenyl)sulfonylamino]acetate.
What is the SMILES notation for ethyl 2-[(3-amino-5-fluoro-4-methoxyphenyl)sulfonylamino]acetate?
The canonical SMILES for ethyl 2-[(3-amino-5-fluoro-4-methoxyphenyl)sulfonylamino]acetate is CCOC(=O)CNS(=O)(=O)c1cc(N)c(OC)c(F)c1.
What is the InChIKey of ethyl 2-[(3-amino-5-fluoro-4-methoxyphenyl)sulfonylamino]acetate?
The InChIKey is INMSOLYYZPDFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O5S/c1-3-19-10(15)6-14-20(16,17)7-4-8(12)11(18-2)9(13)5-7/h4-5,14H,3,6,13H2,1-2H3.
What are the key properties of ethyl 2-[(3-amino-5-fluoro-4-methoxyphenyl)sulfonylamino]acetate?
ethyl 2-[(3-amino-5-fluoro-4-methoxyphenyl)sulfonylamino]acetate has a molecular weight of 306.32 g/mol, XLogP of 0.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-amino-5-fluoro-4-methoxyphenyl)sulfonylamino]acetate is sourced from PubChem (CID 114625222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).