(3-fluoro-4-methoxyphenyl)methyl 2-[(4-cyanophenyl)sulfonylamino]acetate

C17H15FN2O5S — CID 7679394

IUPAC(3-fluoro-4-methoxyphenyl)methyl 2-[(4-cyanophenyl)sulfonylamino]acetate
SMILESCOc1ccc(COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1F
InChIInChI=1S/C17H15FN2O5S/c1-24-16-7-4-13(8-15(16)18)11-25-17(21)10-20-26(22,23)14-5-2-12(9-19)3-6-14/h2-8,20H,10-11H2,1H3
InChIKeyKFQBEDFDGOKKGN-UHFFFAOYSA-N
MW378.38 g/mol
LogP1.73
Rot. Bonds7

About (3-fluoro-4-methoxyphenyl)methyl 2-[(4-cyanophenyl)sulfonylamino]acetate

(3-fluoro-4-methoxyphenyl)methyl 2-[(4-cyanophenyl)sulfonylamino]acetate (PubChem CID 7679394) has the molecular formula C17H15FN2O5S and a molecular weight of 378.38 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)methyl 2-[(4-cyanophenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)methyl 2-[(4-cyanophenyl)sulfonylamino]acetate
PubChem CID7679394
Molecular FormulaC17H15FN2O5S
Molecular Weight378.38 g/mol
Exact Mass378.07
IUPAC Name(3-fluoro-4-methoxyphenyl)methyl 2-[(4-cyanophenyl)sulfonylamino]acetate
SMILESCOc1ccc(COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1F
InChIInChI=1S/C17H15FN2O5S/c1-24-16-7-4-13(8-15(16)18)11-25-17(21)10-20-26(22,23)14-5-2-12(9-19)3-6-14/h2-8,20H,10-11H2,1H3
InChIKeyKFQBEDFDGOKKGN-UHFFFAOYSA-N
XLogP1.73
TPSA105.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3-fluoro-4-methoxyphenyl)methyl 2-[(4-fluorophenyl)sulfonylamino]acetate
CID 7954170
(4-cyanophenyl)methyl 2-[(3,4-dimethoxyphenyl)sulfonylamino]acetate
CID 8664523
(3-fluoro-4-methoxyphenyl)methyl 2-(4-cyanophenoxy)acetate
CID 7843015
[4-(trifluoromethyl)phenyl]methyl 2-[(4-cyanophenyl)sulfonylamino]acetate
CID 39605970
ethyl 4-[[2-[(4-cyanophenyl)methoxy]-2-oxoethyl]sulfamoyl]benzoate
CID 7725584
(4-cyanophenyl)methyl 2-(naphthalen-2-ylsulfonylamino)acetate
CID 7906463
(3-fluoro-4-methoxyphenyl)methyl 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 7806955
(3-fluoro-4-methoxyphenyl)methyl 2-aminoacetate
CID 94256668
(4-pyrazol-1-ylphenyl)methyl 2-[(4-cyanophenyl)sulfonylamino]acetate
CID 39605961
(3-fluoro-4-methoxyphenyl)methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 8843363
5-[(4-cyanophenyl)methylsulfamoyl]-2-methoxybenzoic acid
CID 139733693
2-chloroprop-2-enyl 2-[(4-cyanophenyl)sulfonylamino]acetate
CID 46543973

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)methyl 2-[(4-cyanophenyl)sulfonylamino]acetate?
The IUPAC name of (3-fluoro-4-methoxyphenyl)methyl 2-[(4-cyanophenyl)sulfonylamino]acetate (CID 7679394) is (3-fluoro-4-methoxyphenyl)methyl 2-[(4-cyanophenyl)sulfonylamino]acetate.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)methyl 2-[(4-cyanophenyl)sulfonylamino]acetate?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)methyl 2-[(4-cyanophenyl)sulfonylamino]acetate is COc1ccc(COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)methyl 2-[(4-cyanophenyl)sulfonylamino]acetate?
The InChIKey is KFQBEDFDGOKKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O5S/c1-24-16-7-4-13(8-15(16)18)11-25-17(21)10-20-26(22,23)14-5-2-12(9-19)3-6-14/h2-8,20H,10-11H2,1H3.
What are the key properties of (3-fluoro-4-methoxyphenyl)methyl 2-[(4-cyanophenyl)sulfonylamino]acetate?
(3-fluoro-4-methoxyphenyl)methyl 2-[(4-cyanophenyl)sulfonylamino]acetate has a molecular weight of 378.38 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)methyl 2-[(4-cyanophenyl)sulfonylamino]acetate is sourced from PubChem (CID 7679394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).