ethyl 2-(N-(4-fluorophenyl)sulfonyl-3,5-dimethylanilino)acetate

C18H20FNO4S — CID 50891887

IUPACethyl 2-(N-(4-fluorophenyl)sulfonyl-3,5-dimethylanilino)acetate
SMILESCCOC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H20FNO4S/c1-4-24-18(21)12-20(16-10-13(2)9-14(3)11-16)25(22,23)17-7-5-15(19)6-8-17/h5-11H,4,12H2,1-3H3
InChIKeyGRXHINBYCXJSIV-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.20
Rot. Bonds6

About ethyl 2-(N-(4-fluorophenyl)sulfonyl-3,5-dimethylanilino)acetate

ethyl 2-(N-(4-fluorophenyl)sulfonyl-3,5-dimethylanilino)acetate (PubChem CID 50891887) has the molecular formula C18H20FNO4S and a molecular weight of 365.43 g/mol. Its IUPAC name is ethyl 2-(N-(4-fluorophenyl)sulfonyl-3,5-dimethylanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(N-(4-fluorophenyl)sulfonyl-3,5-dimethylanilino)acetate
PubChem CID50891887
Molecular FormulaC18H20FNO4S
Molecular Weight365.43 g/mol
Exact Mass365.11
IUPAC Nameethyl 2-(N-(4-fluorophenyl)sulfonyl-3,5-dimethylanilino)acetate
SMILESCCOC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H20FNO4S/c1-4-24-18(21)12-20(16-10-13(2)9-14(3)11-16)25(22,23)17-7-5-15(19)6-8-17/h5-11H,4,12H2,1-3H3
InChIKeyGRXHINBYCXJSIV-UHFFFAOYSA-N
XLogP3.20
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(4-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetate
CID 95050818
ethyl 2-(4-chloro-N-(4-fluorophenyl)sulfonyl-3-methylanilino)acetate
CID 50895637
ethyl 2-(N-(4-fluorophenyl)sulfonyl-3-methoxyanilino)acetate
CID 50891577
ethyl 2-[1,3-benzodioxol-5-yl-(4-fluorophenyl)sulfonylamino]acetate
CID 100503153
ethyl 2-(N-(3-chlorophenyl)sulfonyl-4-fluoroanilino)acetate
CID 52689634
ethyl 2-(4-chloro-N-(4-fluorophenyl)sulfonyl-2-methylanilino)acetate
CID 100503333
ethyl 2-(N-(4-chlorophenyl)sulfonyl-2,4-difluoroanilino)acetate
CID 50892875
ethyl 2-(4-fluoro-N-[3-(trifluoromethyl)phenyl]sulfonylanilino)acetate
CID 52689632
ethyl 2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)acetate
CID 50890829
ethyl 2-(2,4,6-trimethyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetate
CID 100518788
methyl 2-(3,5-dichloro-N-(4-fluorophenyl)sulfonylanilino)acetate
CID 50892994
ethyl 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)acetate
CID 50890111

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(N-(4-fluorophenyl)sulfonyl-3,5-dimethylanilino)acetate?
The IUPAC name of ethyl 2-(N-(4-fluorophenyl)sulfonyl-3,5-dimethylanilino)acetate (CID 50891887) is ethyl 2-(N-(4-fluorophenyl)sulfonyl-3,5-dimethylanilino)acetate.
What is the SMILES notation for ethyl 2-(N-(4-fluorophenyl)sulfonyl-3,5-dimethylanilino)acetate?
The canonical SMILES for ethyl 2-(N-(4-fluorophenyl)sulfonyl-3,5-dimethylanilino)acetate is CCOC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of ethyl 2-(N-(4-fluorophenyl)sulfonyl-3,5-dimethylanilino)acetate?
The InChIKey is GRXHINBYCXJSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO4S/c1-4-24-18(21)12-20(16-10-13(2)9-14(3)11-16)25(22,23)17-7-5-15(19)6-8-17/h5-11H,4,12H2,1-3H3.
What are the key properties of ethyl 2-(N-(4-fluorophenyl)sulfonyl-3,5-dimethylanilino)acetate?
ethyl 2-(N-(4-fluorophenyl)sulfonyl-3,5-dimethylanilino)acetate has a molecular weight of 365.43 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(N-(4-fluorophenyl)sulfonyl-3,5-dimethylanilino)acetate is sourced from PubChem (CID 50891887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).