ethyl 2-(N-(3-chlorophenyl)sulfonyl-4-fluoroanilino)acetate

C16H15ClFNO4S — CID 52689634

IUPACethyl 2-(N-(3-chlorophenyl)sulfonyl-4-fluoroanilino)acetate
SMILESCCOC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C16H15ClFNO4S/c1-2-23-16(20)11-19(14-8-6-13(18)7-9-14)24(21,22)15-5-3-4-12(17)10-15/h3-10H,2,11H2,1H3
InChIKeyOERPJPPAHMYYDQ-UHFFFAOYSA-N
MW371.82 g/mol
LogP3.24
Rot. Bonds6

About ethyl 2-(N-(3-chlorophenyl)sulfonyl-4-fluoroanilino)acetate

ethyl 2-(N-(3-chlorophenyl)sulfonyl-4-fluoroanilino)acetate (PubChem CID 52689634) has the molecular formula C16H15ClFNO4S and a molecular weight of 371.82 g/mol. Its IUPAC name is ethyl 2-(N-(3-chlorophenyl)sulfonyl-4-fluoroanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(N-(3-chlorophenyl)sulfonyl-4-fluoroanilino)acetate
PubChem CID52689634
Molecular FormulaC16H15ClFNO4S
Molecular Weight371.82 g/mol
Exact Mass371.04
IUPAC Nameethyl 2-(N-(3-chlorophenyl)sulfonyl-4-fluoroanilino)acetate
SMILESCCOC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C16H15ClFNO4S/c1-2-23-16(20)11-19(14-8-6-13(18)7-9-14)24(21,22)15-5-3-4-12(17)10-15/h3-10H,2,11H2,1H3
InChIKeyOERPJPPAHMYYDQ-UHFFFAOYSA-N
XLogP3.24
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(4-fluoro-N-[3-(trifluoromethyl)phenyl]sulfonylanilino)acetate
CID 52689632
ethyl 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)acetate
CID 50890111
ethyl 2-(4-chloro-N-(4-fluorophenyl)sulfonyl-3-methylanilino)acetate
CID 50895637
ethyl 2-(4-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetate
CID 95050818
ethyl 2-(N-(4-fluorophenyl)sulfonyl-3,5-dimethylanilino)acetate
CID 50891887
ethyl 2-(4-chloro-N-(4-fluorophenyl)sulfonyl-2-methylanilino)acetate
CID 100503333
ethyl 2-(N-(4-fluorophenyl)sulfonyl-3-methoxyanilino)acetate
CID 50891577
ethyl 2-(N-(4-bromo-2-chlorophenyl)sulfonyl-4-fluoroanilino)acetate
CID 60579266
ethyl 2-(N-(4-chlorophenyl)sulfonyl-2,4-difluoroanilino)acetate
CID 50892875
ethyl 2-[(3-chlorophenyl)sulfonyl-prop-2-enylamino]acetate
CID 78977818
ethyl 2-[1,3-benzodioxol-5-yl-(4-fluorophenyl)sulfonylamino]acetate
CID 100503153
ethyl 2-(N-(3-nitrophenyl)sulfonyl-4-propan-2-ylanilino)acetate
CID 50895844

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(N-(3-chlorophenyl)sulfonyl-4-fluoroanilino)acetate?
The IUPAC name of ethyl 2-(N-(3-chlorophenyl)sulfonyl-4-fluoroanilino)acetate (CID 52689634) is ethyl 2-(N-(3-chlorophenyl)sulfonyl-4-fluoroanilino)acetate.
What is the SMILES notation for ethyl 2-(N-(3-chlorophenyl)sulfonyl-4-fluoroanilino)acetate?
The canonical SMILES for ethyl 2-(N-(3-chlorophenyl)sulfonyl-4-fluoroanilino)acetate is CCOC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of ethyl 2-(N-(3-chlorophenyl)sulfonyl-4-fluoroanilino)acetate?
The InChIKey is OERPJPPAHMYYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO4S/c1-2-23-16(20)11-19(14-8-6-13(18)7-9-14)24(21,22)15-5-3-4-12(17)10-15/h3-10H,2,11H2,1H3.
What are the key properties of ethyl 2-(N-(3-chlorophenyl)sulfonyl-4-fluoroanilino)acetate?
ethyl 2-(N-(3-chlorophenyl)sulfonyl-4-fluoroanilino)acetate has a molecular weight of 371.82 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(N-(3-chlorophenyl)sulfonyl-4-fluoroanilino)acetate is sourced from PubChem (CID 52689634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).