ethyl 2-(N-(4-fluorophenyl)sulfonyl-3-methoxyanilino)acetate

C17H18FNO5S — CID 50891577

IUPACethyl 2-(N-(4-fluorophenyl)sulfonyl-3-methoxyanilino)acetate
SMILESCCOC(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H18FNO5S/c1-3-24-17(20)12-19(14-5-4-6-15(11-14)23-2)25(21,22)16-9-7-13(18)8-10-16/h4-11H,3,12H2,1-2H3
InChIKeyLJZIOMDIKOINCY-UHFFFAOYSA-N
MW367.40 g/mol
LogP2.59
Rot. Bonds7

About ethyl 2-(N-(4-fluorophenyl)sulfonyl-3-methoxyanilino)acetate

ethyl 2-(N-(4-fluorophenyl)sulfonyl-3-methoxyanilino)acetate (PubChem CID 50891577) has the molecular formula C17H18FNO5S and a molecular weight of 367.40 g/mol. Its IUPAC name is ethyl 2-(N-(4-fluorophenyl)sulfonyl-3-methoxyanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(N-(4-fluorophenyl)sulfonyl-3-methoxyanilino)acetate
PubChem CID50891577
Molecular FormulaC17H18FNO5S
Molecular Weight367.40 g/mol
Exact Mass367.09
IUPAC Nameethyl 2-(N-(4-fluorophenyl)sulfonyl-3-methoxyanilino)acetate
SMILESCCOC(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H18FNO5S/c1-3-24-17(20)12-19(14-5-4-6-15(11-14)23-2)25(21,22)16-9-7-13(18)8-10-16/h4-11H,3,12H2,1-2H3
InChIKeyLJZIOMDIKOINCY-UHFFFAOYSA-N
XLogP2.59
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(N-(4-fluorophenyl)sulfonyl-3,5-dimethylanilino)acetate
CID 50891887
ethyl 2-(4-chloro-N-(4-fluorophenyl)sulfonyl-3-methylanilino)acetate
CID 50895637
N-ethyl-2-[(4-fluorophenyl)methyl-[2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]butanamide
CID 132688820
ethyl 2-[1,3-benzodioxol-5-yl-(4-fluorophenyl)sulfonylamino]acetate
CID 100503153
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide
CID 100796896
N-ethyl-2-[(4-fluorophenyl)methyl-[2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]propanamide
CID 132686458
ethyl 2-(4-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetate
CID 95050818
ethyl 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)acetate
CID 50890111
ethyl 2-(N-(3-chlorophenyl)sulfonyl-4-fluoroanilino)acetate
CID 52689634
N-butyl-2-[(4-fluorophenyl)methyl-[2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]propanamide
CID 132743095
N-butyl-2-[(4-fluorophenyl)methyl-[2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]butanamide
CID 132746500
2-(N-(4-bromophenyl)sulfonyl-3-methoxyanilino)acetamide
CID 50891585

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(N-(4-fluorophenyl)sulfonyl-3-methoxyanilino)acetate?
The IUPAC name of ethyl 2-(N-(4-fluorophenyl)sulfonyl-3-methoxyanilino)acetate (CID 50891577) is ethyl 2-(N-(4-fluorophenyl)sulfonyl-3-methoxyanilino)acetate.
What is the SMILES notation for ethyl 2-(N-(4-fluorophenyl)sulfonyl-3-methoxyanilino)acetate?
The canonical SMILES for ethyl 2-(N-(4-fluorophenyl)sulfonyl-3-methoxyanilino)acetate is CCOC(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of ethyl 2-(N-(4-fluorophenyl)sulfonyl-3-methoxyanilino)acetate?
The InChIKey is LJZIOMDIKOINCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO5S/c1-3-24-17(20)12-19(14-5-4-6-15(11-14)23-2)25(21,22)16-9-7-13(18)8-10-16/h4-11H,3,12H2,1-2H3.
What are the key properties of ethyl 2-(N-(4-fluorophenyl)sulfonyl-3-methoxyanilino)acetate?
ethyl 2-(N-(4-fluorophenyl)sulfonyl-3-methoxyanilino)acetate has a molecular weight of 367.40 g/mol, XLogP of 2.59, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(N-(4-fluorophenyl)sulfonyl-3-methoxyanilino)acetate is sourced from PubChem (CID 50891577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).